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

Systemtic Name: methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[(4-phenoxyphenyl)carbonylamino]-5-phenyl-pent-4-enoate Openeye Name: methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[(4-phenoxybenzoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo-(4-phenoxyphenyl)methyl]amino]-5-phenyl-4-pentenoic acid methyl ester IUPAC Name: methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[(4-phenoxybenzoyl)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-(3-amidinobenzyl)-3-[(4-phenoxybenzoyl)amino]-5-phenyl-pent-4-enoic acid methyl ester Formula: C33H31N3O4 MolecularWeight: 533.61694

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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)OC4=CC=CC=C4

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)OC4=CC=CC=C4

InChI

InChI=1S/C33H31N3O4/c1-39-33(38)29(22-24-11-8-12-26(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)25-16-18-28(19-17-25)40-27-13-6-3-7-14-27/h2-21,29-30H,22H2,1H3,(H3,34,35)(H,36,37)/b20-15+