2-carboxy-5-(4-cyano-3-fluoranyl-phenyl)-4-(4-pentylcyclohexyl)-3-phenyl-benzoate

Systemtic Name: 2-carboxy-5-(4-cyano-3-fluoranyl-phenyl)-4-(4-pentylcyclohexyl)-3-phenyl-benzoate Openeye Name: 2-carboxy-5-(4-cyano-3-fluoro-phenyl)-4-(4-pentylcyclohexyl)-3-phenyl-benzoate CAS Name: 2-carboxy-5-(4-cyano-3-fluorophenyl)-4-(4-pentylcyclohexyl)-3-phenylbenzoate IUPAC Name: 2-carboxy-5-(4-cyano-3-fluorophenyl)-4-(4-pentylcyclohexyl)-3-phenylbenzoate Traditional Name: 4-(4-amylcyclohexyl)-2-carboxy-5-(4-cyano-3-fluoro-phenyl)-3-phenyl-benzoate Formula: C32H31FNO4- MolecularWeight: 512.591243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=C(C(=C(C=C2C3=CC(=C(C=C3)C#N)F)C(=O)[O-])C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1CCC(CC1)C2=C(C(=C(C=C2C3=CC(=C(C=C3)C#N)F)C(=O)[O-])C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C32H32FNO4/c1-2-3-5-8-20-11-13-22(14-12-20)28-25(23-15-16-24(19-34)27(33)17-23)18-26(31(35)36)30(32(37)38)29(28)21-9-6-4-7-10-21/h4,6-7,9-10,15-18,20,22H,2-3,5,8,11-14H2,1H3,(H,35,36)(H,37,38)/p-1