2-carboxy-4-(4-cyano-3-fluoranyl-phenyl)-3-(4-ethylcyclohexyl)benzoate

Systemtic Name: 2-carboxy-4-(4-cyano-3-fluoranyl-phenyl)-3-(4-ethylcyclohexyl)benzoate Openeye Name: 2-carboxy-4-(4-cyano-3-fluoro-phenyl)-3-(4-ethylcyclohexyl)benzoate CAS Name: 2-carboxy-4-(4-cyano-3-fluorophenyl)-3-(4-ethylcyclohexyl)benzoate IUPAC Name: 2-carboxy-4-(4-cyano-3-fluorophenyl)-3-(4-ethylcyclohexyl)benzoate Traditional Name: 2-carboxy-4-(4-cyano-3-fluoro-phenyl)-3-(4-ethylcyclohexyl)benzoate Formula: C23H21FNO4- MolecularWeight: 394.415543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)C2=C(C=CC(=C2C(=O)O)C(=O)[O-])C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCC1CCC(CC1)C2=C(C=CC(=C2C(=O)O)C(=O)[O-])C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C23H22FNO4/c1-2-13-3-5-14(6-4-13)20-17(15-7-8-16(12-25)19(24)11-15)9-10-18(22(26)27)21(20)23(28)29/h7-11,13-14H,2-6H2,1H3,(H,26,27)(H,28,29)/p-1