methyl (2S)-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-pyrrol-1-ylphenyl)propanoate

Systemtic Name: methyl (2S)-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-pyrrol-1-ylphenyl)propanoate Openeye Name: methyl (2S)-2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-pyrrol-1-ylphenyl)propanoate CAS Name: (2S)-2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-3-[4-(1-pyrrolyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-pyrrol-1-ylphenyl)propanoate Traditional Name: (2S)-2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-pyrrol-1-ylphenyl)propionic acid methyl ester Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)N3C=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)[C@@H](CC2=CC=C(C=C2)N3C=CC=C3)C(=O)OC)C

InChI

InChI=1S/C24H26N2O3/c1-17-13-18(2)15-20(14-17)23(27)25(3)22(24(28)29-4)16-19-7-9-21(10-8-19)26-11-5-6-12-26/h5-15,22H,16H2,1-4H3/t22-/m0/s1