4-cyano-4-(3-fluorophenyl)-3-(4-methoxyphenyl)butanoic acid

Systemtic Name: 4-cyano-4-(3-fluorophenyl)-3-(4-methoxyphenyl)butanoic acid Openeye Name: 4-cyano-4-(3-fluorophenyl)-3-(4-methoxyphenyl)butanoic acid CAS Name: 4-cyano-4-(3-fluorophenyl)-3-(4-methoxyphenyl)butanoic acid IUPAC Name: 4-cyano-4-(3-fluorophenyl)-3-(4-methoxyphenyl)butanoic acid Traditional Name: 4-cyano-4-(3-fluorophenyl)-3-(4-methoxyphenyl)butyric acid Formula: C18H16FNO3 MolecularWeight: 313.322943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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