methyl 2-[(3-cyanophenyl)methyl]-3-[(4-pyrrol-1-ylphenyl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(4-pyrrol-1-ylphenyl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(4-pyrrol-1-ylbenzoyl)amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[(4-pyrrol-1-ylbenzoyl)amino]butanoate Traditional Name: 2-(3-cyanobenzyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]butyric acid methyl ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3/c1-17(22(24(29)30-2)15-18-6-5-7-19(14-18)16-25)26-23(28)20-8-10-21(11-9-20)27-12-3-4-13-27/h3-14,17,22H,15H2,1-2H3,(H,26,28)