[(E)-3-cyano-4-(4-fluorophenyl)-4-morpholin-4-yl-2-oxidanylidene-but-3-enyl] 4-phenylbenzoate

Systemtic Name: [(E)-3-cyano-4-(4-fluorophenyl)-4-morpholin-4-yl-2-oxidanylidene-but-3-enyl] 4-phenylbenzoate Openeye Name: [(E)-3-cyano-4-(4-fluorophenyl)-4-morpholino-2-oxo-but-3-enyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [(E)-3-cyano-4-(4-fluorophenyl)-4-(4-morpholinyl)-2-oxobut-3-enyl] ester IUPAC Name: [(E)-3-cyano-4-(4-fluorophenyl)-4-morpholin-4-yl-2-oxobut-3-enyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [(E)-3-cyano-4-(4-fluorophenyl)-2-keto-4-morpholino-but-3-enyl] ester Formula: C28H23FN2O4 MolecularWeight: 470.491623

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=C(C#N)C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCCN1/C(=C(\C#N)/C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)/C4=CC=C(C=C4)F

InChI

InChI=1S/C28H23FN2O4/c29-24-12-10-22(11-13-24)27(31-14-16-34-17-15-31)25(18-30)26(32)19-35-28(33)23-8-6-21(7-9-23)20-4-2-1-3-5-20/h1-13H,14-17,19H2/b27-25+