(4-carbamimidoylphenyl) 4-[(E)-2-methyl-3-[1-(3-methylphenyl)propan-2-ylamino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-2-methyl-3-[1-(3-methylphenyl)propan-2-ylamino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-2-methyl-3-[[1-methyl-2-(m-tolyl)ethyl]amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-2-methyl-3-[1-(3-methylphenyl)propan-2-ylamino]-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-2-methyl-3-[1-(3-methylphenyl)propan-2-ylamino]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-2-methyl-3-[[1-methyl-2-(m-tolyl)ethyl]amino]prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C)NC(=O)C(=CC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CC1=CC(=CC=C1)CC(C)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N)/C

InChI

InChI=1S/C28H29N3O3/c1-18-5-4-6-22(15-18)17-20(3)31-27(32)19(2)16-21-7-9-24(10-8-21)28(33)34-25-13-11-23(12-14-25)26(29)30/h4-16,20H,17H2,1-3H3,(H3,29,30)(H,31,32)/b19-16+