3-(3-but-3-yn-2-yloxyphenyl)-4-chloranyl-2-[(6-chloranylpyridin-3-yl)carbonylcarbamoyl]-2-fluoranyl-cyclohexane-1-carboxylic acid

Systemtic Name: 3-(3-but-3-yn-2-yloxyphenyl)-4-chloranyl-2-[(6-chloranylpyridin-3-yl)carbonylcarbamoyl]-2-fluoranyl-cyclohexane-1-carboxylic acid Openeye Name: 4-chloro-2-[(6-chloropyridine-3-carbonyl)carbamoyl]-2-fluoro-3-[3-(1-methylprop-2-ynoxy)phenyl]cyclohexanecarboxylic acid CAS Name: 3-(3-but-3-yn-2-yloxyphenyl)-4-chloro-2-[[[(6-chloro-3-pyridinyl)-oxomethyl]amino]-oxomethyl]-2-fluoro-1-cyclohexanecarboxylic acid IUPAC Name: 3-(3-but-3-yn-2-yloxyphenyl)-4-chloro-2-[(6-chloropyridine-3-carbonyl)carbamoyl]-2-fluorocyclohexane-1-carboxylic acid Traditional Name: 4-chloro-2-[(6-chloronicotinoyl)carbamoyl]-2-fluoro-3-[3-(1-methylprop-2-ynoxy)phenyl]cyclohexanecarboxylic acid Formula: C24H21Cl2FN2O5 MolecularWeight: 507.338343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC1=CC=CC(=C1)C2C(CCC(C2(C(=O)NC(=O)C3=CN=C(C=C3)Cl)F)C(=O)O)Cl

Isomeric SMILES

CC(C#C)OC1=CC=CC(=C1)C2C(CCC(C2(C(=O)NC(=O)C3=CN=C(C=C3)Cl)F)C(=O)O)Cl

InChI

InChI=1S/C24H21Cl2FN2O5/c1-3-13(2)34-16-6-4-5-14(11-16)20-18(25)9-8-17(22(31)32)24(20,27)23(33)29-21(30)15-7-10-19(26)28-12-15/h1,4-7,10-13,17-18,20H,8-9H2,2H3,(H,31,32)(H,29,30,33)