[4-[2-cyano-3-[(2,6-diethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[2-cyano-3-[(2,6-diethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[2-cyano-3-(2,6-diethylanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-(2,6-diethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[2-cyano-3-(2,6-diethylanilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H25FN2O4 MolecularWeight: 472.507503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC)C#N

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)F)OC)C#N

InChI

InChI=1S/C28H25FN2O4/c1-4-19-7-6-8-20(5-2)26(19)31-27(32)22(17-30)15-18-9-14-24(25(16-18)34-3)35-28(33)21-10-12-23(29)13-11-21/h6-16H,4-5H2,1-3H3,(H,31,32)