Name: Name:3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)benzoic acid methyl ester
Brand: Angene
SKU: AG00ABJ2
Rating: 90 (10 reviews)

3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)benzoic acid methyl ester

CAS No.:

156755-35-0

Catalog Number:

AG00ABJ2

Molecular Formula:

C30H37NO3

Molecular Weight:

459.6197

Catalog Number:

AG00ABJ2

Chemical Name:

3-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-(phenylmethoxy)benzoic acid methyl ester

CAS Number:

156755-35-0

Molecular Formula:

C30H37NO3

Molecular Weight:

459.6197

MDL Number:

MFCD15529615

IUPAC Name:

methyl 3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxybenzoate

InChI:

InChI=1S/C30H37NO3/c1-22(2)31(23(3)4)19-18-27(25-14-10-7-11-15-25)28-20-26(30(32)33-5)16-17-29(28)34-21-24-12-8-6-9-13-24/h6-17,20,22-23,27H,18-19,21H2,1-5H3/t27-/m1/s1

InChI Key:

YRJYQILAWNHFTB-HHHXNRCGSA-N

SMILES:

COC(=O)c1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)OCc1ccccc1

Complexity:

572

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

459.277g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

459.63g/mol

Monoisotopic Mass:

459.277g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.9