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

Systemtic Name: methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[(4-cyclohexylphenyl)carbonylamino]-5-phenyl-pent-4-enoate Openeye Name: methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[(4-cyclohexylbenzoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[[(4-cyclohexylphenyl)-oxomethyl]amino]-5-phenyl-4-pentenoic acid methyl ester IUPAC Name: methyl (E)-2-[(3-carbamimidoylphenyl)methyl]-3-[(4-cyclohexylbenzoyl)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-(3-amidinobenzyl)-3-[(4-cyclohexylbenzoyl)amino]-5-phenyl-pent-4-enoic acid methyl ester Formula: C33H37N3O3 MolecularWeight: 523.66518

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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)C4CCCCC4

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)C4CCCCC4

InChI

InChI=1S/C33H37N3O3/c1-39-33(38)29(22-24-11-8-14-28(21-24)31(34)35)30(20-15-23-9-4-2-5-10-23)36-32(37)27-18-16-26(17-19-27)25-12-6-3-7-13-25/h2,4-5,8-11,14-21,25,29-30H,3,6-7,12-13,22H2,1H3,(H3,34,35)(H,36,37)/b20-15+