methyl (E)-3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-(4-phenylphenyl)pent-4-enoate

Systemtic Name: methyl (E)-3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-(4-phenylphenyl)pent-4-enoate Openeye Name: methyl (E)-3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-(4-phenylphenyl)pent-4-enoate CAS Name: (E)-3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-(4-phenylphenyl)-4-pentenoic acid methyl ester IUPAC Name: methyl (E)-3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-(4-phenylphenyl)pent-4-enoate Traditional Name: (E)-2-(3-amidinobenzyl)-3-benzamido-5-(4-phenylphenyl)pent-4-enoic acid methyl ester Formula: C33H31N3O3 MolecularWeight: 517.61754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H31N3O3/c1-39-33(38)29(22-24-9-8-14-28(21-24)31(34)35)30(36-32(37)27-12-6-3-7-13-27)20-17-23-15-18-26(19-16-23)25-10-4-2-5-11-25/h2-21,29-30H,22H2,1H3,(H3,34,35)(H,36,37)/b20-17+