methyl 2-[(3-ethanimidoylphenyl)methyl]-5-phenyl-3-[(4-pyridin-3-ylphenyl)carbonylamino]pentanoate

Systemtic Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-5-phenyl-3-[(4-pyridin-3-ylphenyl)carbonylamino]pentanoate Openeye Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-5-phenyl-3-[[4-(3-pyridyl)benzoyl]amino]pentanoate CAS Name: 2-[[3-(1-iminoethyl)phenyl]methyl]-3-[[oxo-[4-(3-pyridinyl)phenyl]methyl]amino]-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 2-[(3-ethanimidoylphenyl)methyl]-5-phenyl-3-[(4-pyridin-3-ylbenzoyl)amino]pentanoate Traditional Name: 2-(3-acetimidoylbenzyl)-5-phenyl-3-[[4-(3-pyridyl)benzoyl]amino]valeric acid methyl ester Formula: C33H33N3O3 MolecularWeight: 519.63342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C1=CC(=CC=C1)CC(C(CCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CN=CC=C4)C(=O)OC

Isomeric SMILES

CC(=N)C1=CC(=CC=C1)CC(C(CCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CN=CC=C4)C(=O)OC

InChI

InChI=1S/C33H33N3O3/c1-23(34)28-11-6-10-25(20-28)21-30(33(38)39-2)31(18-13-24-8-4-3-5-9-24)36-32(37)27-16-14-26(15-17-27)29-12-7-19-35-22-29/h3-12,14-17,19-20,22,30-31,34H,13,18,21H2,1-2H3,(H,36,37)