4-cyano-4-(4-fluorophenyl)-3-(4-methoxyphenyl)butanoate

Systemtic Name: 4-cyano-4-(4-fluorophenyl)-3-(4-methoxyphenyl)butanoate Openeye Name: 4-cyano-4-(4-fluorophenyl)-3-(4-methoxyphenyl)butanoate CAS Name: 4-cyano-4-(4-fluorophenyl)-3-(4-methoxyphenyl)butanoate IUPAC Name: 4-cyano-4-(4-fluorophenyl)-3-(4-methoxyphenyl)butanoate Traditional Name: 4-cyano-4-(4-fluorophenyl)-3-(4-methoxyphenyl)butyrate Formula: C18H15FNO3- MolecularWeight: 312.315003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)[O-])C(C#N)C2=CC=C(C=C2)F

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)[O-])C(C#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H16FNO3/c1-23-15-8-4-12(5-9-15)16(10-18(21)22)17(11-20)13-2-6-14(19)7-3-13/h2-9,16-17H,10H2,1H3,(H,21,22)/p-1