[4-(4-fluorophenyl)-4-oxidanylidene-butyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C21H18FNO4 MolecularWeight: 367.370323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H18FNO4/c1-26-19-10-4-15(5-11-19)13-17(14-23)21(25)27-12-2-3-20(24)16-6-8-18(22)9-7-16/h4-11,13H,2-3,12H2,1H3/b17-13+