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

Systemtic Name: [4-[(E)-2-cyano-3-[(2-ethoxyphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-ethoxyanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-keto-3-(o-phenetidino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H21FN2O5 MolecularWeight: 460.453743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC)C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC)/C#N

InChI

InChI=1S/C26H21FN2O5/c1-3-33-22-7-5-4-6-21(22)29-25(30)19(16-28)14-17-8-13-23(24(15-17)32-2)34-26(31)18-9-11-20(27)12-10-18/h4-15H,3H2,1-2H3,(H,29,30)/b19-14+