methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-pyridin-2-ylphenyl)carbonylamino]pent-4-enoate

Systemtic Name: methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-pyridin-2-ylphenyl)carbonylamino]pent-4-enoate Openeye Name: methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[[4-(2-pyridyl)benzoyl]amino]pent-4-enoate CAS Name: (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo-[4-(2-pyridinyl)phenyl]methyl]amino]-5-phenyl-4-pentenoic acid methyl ester IUPAC Name: methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-pyridin-2-ylbenzoyl)amino]pent-4-enoate Traditional Name: (E)-2-(3-amidinobenzyl)-5-phenyl-3-[[4-(2-pyridyl)benzoyl]amino]pent-4-enoic acid methyl ester Formula: C32H30N4O3 MolecularWeight: 518.6056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(C=CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=N4

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(/C=C/C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=N4

InChI

InChI=1S/C32H30N4O3/c1-39-32(38)27(21-23-10-7-11-26(20-23)30(33)34)29(18-13-22-8-3-2-4-9-22)36-31(37)25-16-14-24(15-17-25)28-12-5-6-19-35-28/h2-20,27,29H,21H2,1H3,(H3,33,34)(H,36,37)/b18-13+