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

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-2-methyl-3-oxidanylidene-3-[1-(phenylcarbonyloxy)propan-2-ylamino]prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-[(2-benzoyloxy-1-methyl-ethyl)amino]-2-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(1-benzoyloxypropan-2-ylamino)-2-methyl-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-3-(1-benzoyloxypropan-2-ylamino)-2-methyl-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[(2-benzoyloxy-1-methyl-ethyl)amino]-3-keto-2-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O5/c1-18(26(32)31-19(2)17-35-27(33)22-6-4-3-5-7-22)16-20-8-10-23(11-9-20)28(34)36-24-14-12-21(13-15-24)25(29)30/h3-16,19H,17H2,1-2H3,(H3,29,30)(H,31,32)/b18-16+