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

Systemtic Name: methyl (E)-3-benzamido-2-[(4-carbamimidoylphenyl)methyl]-5-phenyl-pent-4-enoate Openeye Name: methyl (E)-3-benzamido-2-[(4-carbamimidoylphenyl)methyl]-5-phenyl-pent-4-enoate CAS Name: (E)-3-benzamido-2-[(4-carbamimidoylphenyl)methyl]-5-phenyl-4-pentenoic acid methyl ester IUPAC Name: methyl (E)-3-benzamido-2-[(4-carbamimidoylphenyl)methyl]-5-phenylpent-4-enoate Traditional Name: (E)-2-(4-amidinobenzyl)-3-benzamido-5-phenyl-pent-4-enoic acid methyl ester Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3/c1-33-27(32)23(18-20-12-15-21(16-13-20)25(28)29)24(17-14-19-8-4-2-5-9-19)30-26(31)22-10-6-3-7-11-22/h2-17,23-24H,18H2,1H3,(H3,28,29)(H,30,31)/b17-14+