(4-carbamimidoylphenyl) 4-[(E)-3-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: (4-carbamimidoylphenyl) 4-[(E)-3-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: (4-carbamimidoylphenyl) 4-[(E)-3-(N-(2-ethoxy-2-oxo-ethyl)anilino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(N-(2-ethoxy-2-oxoethyl)anilino)-3-oxoprop-1-enyl]benzoic acid (4-carbamimidoylphenyl) ester IUPAC Name: (4-carbamimidoylphenyl) 4-[(E)-3-(N-(2-ethoxy-2-oxoethyl)anilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(N-(2-ethoxy-2-keto-ethyl)anilino)-3-keto-prop-1-enyl]benzoic acid (4-amidinophenyl) ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC=CC=C1)C(=O)C=CC2=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/C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C27H25N3O5/c1-2-34-25(32)18-30(22-6-4-3-5-7-22)24(31)17-10-19-8-11-21(12-9-19)27(33)35-23-15-13-20(14-16-23)26(28)29/h3-17H,2,18H2,1H3,(H3,28,29)/b17-10+