[4-[2-cyano-3-[(3,4-dimethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[2-cyano-3-[(3,4-dimethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[2-cyano-3-(3,4-dimethoxyanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[2-cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-(3,4-dimethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[2-cyano-3-(3,4-dimethoxyanilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H21FN2O6 MolecularWeight: 476.453143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC)C#N)OC

InChI

InChI=1S/C26H21FN2O6/c1-32-21-11-9-20(14-24(21)34-3)29-25(30)18(15-28)12-16-4-10-22(23(13-16)33-2)35-26(31)17-5-7-19(27)8-6-17/h4-14H,1-3H3,(H,29,30)