3-(3-butoxycarbonylphenyl)-4-chloranyl-2-fluoranyl-2-(pyridin-3-ylcarbonylcarbamoyl)cyclohexane-1-carboxylic acid

Systemtic Name: 3-(3-butoxycarbonylphenyl)-4-chloranyl-2-fluoranyl-2-(pyridin-3-ylcarbonylcarbamoyl)cyclohexane-1-carboxylic acid Openeye Name: 3-(3-butoxycarbonylphenyl)-4-chloro-2-fluoro-2-(pyridine-3-carbonylcarbamoyl)cyclohexanecarboxylic acid CAS Name: 3-[3-[butoxy(oxo)methyl]phenyl]-4-chloro-2-fluoro-2-[oxo-[[oxo(3-pyridinyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-(3-butoxycarbonylphenyl)-4-chloro-2-fluoro-2-(pyridine-3-carbonylcarbamoyl)cyclohexane-1-carboxylic acid Traditional Name: 3-(3-butoxycarbonylphenyl)-4-chloro-2-fluoro-2-(nicotinoylcarbamoyl)cyclohexanecarboxylic acid Formula: C25H26ClFN2O6 MolecularWeight: 504.935143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)C2C(CCC(C2(C(=O)NC(=O)C3=CN=CC=C3)F)C(=O)O)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)C2C(CCC(C2(C(=O)NC(=O)C3=CN=CC=C3)F)C(=O)O)Cl

InChI

InChI=1S/C25H26ClFN2O6/c1-2-3-12-35-23(33)16-7-4-6-15(13-16)20-19(26)10-9-18(22(31)32)25(20,27)24(34)29-21(30)17-8-5-11-28-14-17/h4-8,11,13-14,18-20H,2-3,9-10,12H2,1H3,(H,31,32)(H,29,30,34)