Name: Name:1,2,4-Benzenetricarboxylic acid, 5-[[[(3-phenoxyphenyl)Methyl][(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]aMino]carbonyl]-, 1,2,4-triMethyl ester
Brand: Angene
SKU: AG009C5W
Rating: 90 (10 reviews)

1,2,4-Benzenetricarboxylic acid, 5-[[[(3-phenoxyphenyl)Methyl][(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]aMino]carbonyl]-, 1,2,4-triMethyl ester

CAS No.:

1332577-02-2

Catalog Number:

AG009C5W

Molecular Formula:

C36H33NO8

Molecular Weight:

607.6491

Catalog Number:

AG009C5W

Chemical Name:

1,2,4-Benzenetricarboxylic acid, 5-[[[(3-phenoxyphenyl)Methyl][(1S)-1,2,3,4-tetrahydro-1-naphthalenyl]aMino]carbonyl]-, 1,2,4-triMethyl ester

CAS Number:

1332577-02-2

Molecular Formula:

C36H33NO8

Molecular Weight:

607.6491

MDL Number:

MFCD20271909

IUPAC Name:

trimethyl 5-[(3-phenoxyphenyl)methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]benzene-1,2,4-tricarboxylate

InChI:

InChI=1S/C36H33NO8/c1-42-34(39)29-21-31(36(41)44-3)30(35(40)43-2)20-28(29)33(38)37(32-18-10-13-24-12-7-8-17-27(24)32)22-23-11-9-16-26(19-23)45-25-14-5-4-6-15-25/h4-9,11-12,14-17,19-21,32H,10,13,18,22H2,1-3H3/t32-/m0/s1

InChI Key:

FQSCBXZGKCCVTG-YTTGMZPUSA-N

SMILES:

COC(=O)c1cc(C(=O)OC)c(cc1C(=O)N([C@H]1CCCc2c1cccc2)Cc1cccc(c1)Oc1ccccc1)C(=O)OC

Complexity:

1030

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

607.221g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

607.659g/mol

Monoisotopic Mass:

607.221g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.2