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

Systemtic Name: methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[(4-methylphenyl)carbonylamino]-5-phenyl-pent-4-enoate Openeye Name: methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[(4-methylbenzoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[[(4-methylphenyl)-oxomethyl]amino]-5-phenyl-4-pentenoic acid methyl ester IUPAC Name: methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[(4-methylbenzoyl)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-(3-amidinobenzyl)-5-phenyl-3-(p-toluoylamino)pent-4-enoic acid methyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C=CC2=CC=CC=C2)C(CC3=CC=CC(=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(/C=C/C2=CC=CC=C2)C(CC3=CC=CC(=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C28H29N3O3/c1-19-11-14-22(15-12-19)27(32)31-25(16-13-20-7-4-3-5-8-20)24(28(33)34-2)18-21-9-6-10-23(17-21)26(29)30/h3-17,24-25H,18H2,1-2H3,(H3,29,30)(H,31,32)/b16-13+