Name: Name:N,N-Diisopropyl[3-(2-benzyloxy-5-carboxyphenyl)-3-phenylpropyl]amine
Brand: Angene
SKU: AG00ILYH
Rating: 90 (10 reviews)

N,N-Diisopropyl[3-(2-benzyloxy-5-carboxyphenyl)-3-phenylpropyl]amine

CAS No.:

701906-29-8

Catalog Number:

AG00ILYH

Molecular Formula:

C29H35NO3

Molecular Weight:

445.5931

Catalog Number:

AG00ILYH

Chemical Name:

N,N-Diisopropyl[3-(2-benzyloxy-5-carboxyphenyl)-3-phenylpropyl]amine

CAS Number:

701906-29-8

Molecular Formula:

C29H35NO3

Molecular Weight:

445.5931

MDL Number:

MFCD28359291

IUPAC Name:

3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxybenzoic acid

InChI:

InChI=1S/C29H35NO3/c1-21(2)30(22(3)4)18-17-26(24-13-9-6-10-14-24)27-19-25(29(31)32)15-16-28(27)33-20-23-11-7-5-8-12-23/h5-16,19,21-22,26H,17-18,20H2,1-4H3,(H,31,32)

InChI Key:

KJWIVHKZEWPBJI-UHFFFAOYSA-N

SMILES:

CC(N(C(C)C)CCC(c1cc(ccc1OCc1ccccc1)C(=O)O)c1ccccc1)C

Complexity:

557

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

445.262g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

445.603g/mol

Monoisotopic Mass:

445.262g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3