2-[(3-cyanophenyl)methyl]-5-phenyl-3-[(4-pyridin-3-ylphenyl)carbonylamino]pentanoic acid

Systemtic Name: 2-[(3-cyanophenyl)methyl]-5-phenyl-3-[(4-pyridin-3-ylphenyl)carbonylamino]pentanoic acid Openeye Name: 2-[(3-cyanophenyl)methyl]-5-phenyl-3-[[4-(3-pyridyl)benzoyl]amino]pentanoic acid CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo-[4-(3-pyridinyl)phenyl]methyl]amino]-5-phenylpentanoic acid IUPAC Name: 2-[(3-cyanophenyl)methyl]-5-phenyl-3-[(4-pyridin-3-ylbenzoyl)amino]pentanoic acid Traditional Name: 2-(3-cyanobenzyl)-5-phenyl-3-[[4-(3-pyridyl)benzoyl]amino]valeric acid Formula: C31H27N3O3 MolecularWeight: 489.56438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(CC2=CC=CC(=C2)C#N)C(=O)O)NC(=O)C3=CC=C(C=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(CC2=CC=CC(=C2)C#N)C(=O)O)NC(=O)C3=CC=C(C=C3)C4=CN=CC=C4

InChI

InChI=1S/C31H27N3O3/c32-20-24-9-4-8-23(18-24)19-28(31(36)37)29(16-11-22-6-2-1-3-7-22)34-30(35)26-14-12-25(13-15-26)27-10-5-17-33-21-27/h1-10,12-15,17-18,21,28-29H,11,16,19H2,(H,34,35)(H,36,37)