(4-carbamimidoylphenyl) 4-[(E)-4-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-4-oxidanylidene-but-2-en-2-yl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-4-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-4-oxidanylidene-but-2-en-2-yl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-(N-(2-ethoxy-2-oxo-ethyl)anilino)-1-methyl-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-4-(N-(2-ethoxy-2-oxoethyl)anilino)-4-oxobut-2-en-2-yl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-4-(N-(2-ethoxy-2-oxoethyl)anilino)-4-oxobut-2-en-2-yl]benzoate Traditional Name: 4-[(E)-3-(N-(2-ethoxy-2-keto-ethyl)anilino)-3-keto-1-methyl-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)C=C(C)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CN(C1=CC=CC=C1)C(=O)/C=C(\C)/C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C28H27N3O5/c1-3-35-26(33)18-31(23-7-5-4-6-8-23)25(32)17-19(2)20-9-11-22(12-10-20)28(34)36-24-15-13-21(14-16-24)27(29)30/h4-17H,3,18H2,1-2H3,(H3,29,30)/b19-17+