5-cyano-4-(4-fluorophenyl)-2,6-dimethyl-3,5-bis(oxidanyl)-2-pyridin-3-yl-hept-6-enoic acid

Systemtic Name: 5-cyano-4-(4-fluorophenyl)-2,6-dimethyl-3,5-bis(oxidanyl)-2-pyridin-3-yl-hept-6-enoic acid Openeye Name: 5-cyano-4-(4-fluorophenyl)-3,5-dihydroxy-2,6-dimethyl-2-(3-pyridyl)hept-6-enoic acid CAS Name: 5-cyano-4-(4-fluorophenyl)-3,5-dihydroxy-2,6-dimethyl-2-(3-pyridinyl)-6-heptenoic acid IUPAC Name: 5-cyano-4-(4-fluorophenyl)-3,5-dihydroxy-2,6-dimethyl-2-pyridin-3-ylhept-6-enoic acid Traditional Name: 5-cyano-4-(4-fluorophenyl)-3,5-dihydroxy-2,6-dimethyl-2-(3-pyridyl)hept-6-enoic acid Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O4/c1-13(2)21(28,12-23)17(14-6-8-16(22)9-7-14)18(25)20(3,19(26)27)15-5-4-10-24-11-15/h4-11,17-18,25,28H,1H2,2-3H3,(H,26,27)