3-(3-but-3-yn-2-yloxyphenyl)-4-chloranyl-2-fluoranyl-2-[(4-methylpyridin-3-yl)carbonylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 3-(3-but-3-yn-2-yloxyphenyl)-4-chloranyl-2-fluoranyl-2-[(4-methylpyridin-3-yl)carbonylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-chloro-2-fluoro-3-[3-(1-methylprop-2-ynoxy)phenyl]-2-[(4-methylpyridine-3-carbonyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 3-(3-but-3-yn-2-yloxyphenyl)-4-chloro-2-fluoro-2-[[[(4-methyl-3-pyridinyl)-oxomethyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-(3-but-3-yn-2-yloxyphenyl)-4-chloro-2-fluoro-2-[(4-methylpyridine-3-carbonyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-chloro-2-fluoro-2-[(4-methylnicotinoyl)carbamoyl]-3-[3-(1-methylprop-2-ynoxy)phenyl]cyclohexanecarboxylic acid Formula: C25H24ClFN2O5 MolecularWeight: 486.919863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)C(=O)NC(=O)C2(C(CCC(C2C3=CC(=CC=C3)OC(C)C#C)Cl)C(=O)O)F

Isomeric SMILES

CC1=C(C=NC=C1)C(=O)NC(=O)C2(C(CCC(C2C3=CC(=CC=C3)OC(C)C#C)Cl)C(=O)O)F

InChI

InChI=1S/C25H24ClFN2O5/c1-4-15(3)34-17-7-5-6-16(12-17)21-20(26)9-8-19(23(31)32)25(21,27)24(33)29-22(30)18-13-28-11-10-14(18)2/h1,5-7,10-13,15,19-21H,8-9H2,2-3H3,(H,31,32)(H,29,30,33)