[(E)-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-phenylphenyl)carbonylamino]pent-4-enyl] ethanoate

Systemtic Name: [(E)-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-phenylphenyl)carbonylamino]pent-4-enyl] ethanoate Openeye Name: [(E)-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-phenylbenzoyl)amino]pent-4-enyl] acetate CAS Name: acetic acid [(E)-2-[(3-carbamimidoylphenyl)methyl]-3-[[oxo-(4-phenylphenyl)methyl]amino]-5-phenylpent-4-enyl] ester IUPAC Name: [(E)-2-[(3-carbamimidoylphenyl)methyl]-5-phenyl-3-[(4-phenylbenzoyl)amino]pent-4-enyl] acetate Traditional Name: acetic acid [(E)-2-(3-amidinobenzyl)-5-phenyl-3-[(4-phenylbenzoyl)amino]pent-4-enyl] ester Formula: C34H33N3O3 MolecularWeight: 531.64412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H33N3O3/c1-24(38)40-23-31(22-26-11-8-14-30(21-26)33(35)36)32(20-15-25-9-4-2-5-10-25)37-34(39)29-18-16-28(17-19-29)27-12-6-3-7-13-27/h2-21,31-32H,22-23H2,1H3,(H3,35,36)(H,37,39)/b20-15+