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

Systemtic Name: 3-(4-butylcyclohexyl)-2-carboxy-4-(4-cyano-3-fluoranyl-phenyl)benzoate Openeye Name: 3-(4-butylcyclohexyl)-2-carboxy-4-(4-cyano-3-fluoro-phenyl)benzoate CAS Name: 3-(4-butylcyclohexyl)-2-carboxy-4-(4-cyano-3-fluorophenyl)benzoate IUPAC Name: 3-(4-butylcyclohexyl)-2-carboxy-4-(4-cyano-3-fluorophenyl)benzoate Traditional Name: 3-(4-butylcyclohexyl)-2-carboxy-4-(4-cyano-3-fluoro-phenyl)benzoate Formula: C25H25FNO4- MolecularWeight: 422.468703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=C(C=CC(=C2C(=O)O)C(=O)[O-])C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCC1CCC(CC1)C2=C(C=CC(=C2C(=O)O)C(=O)[O-])C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C25H26FNO4/c1-2-3-4-15-5-7-16(8-6-15)22-19(17-9-10-18(14-27)21(26)13-17)11-12-20(24(28)29)23(22)25(30)31/h9-13,15-16H,2-8H2,1H3,(H,28,29)(H,30,31)/p-1