3-(3-but-3-yn-2-yloxyphenyl)-4-chloranyl-2-fluoranyl-2-[(5-methoxycarbonylpyridin-3-yl)carbonylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 3-(3-but-3-yn-2-yloxyphenyl)-4-chloranyl-2-fluoranyl-2-[(5-methoxycarbonylpyridin-3-yl)carbonylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-chloro-2-fluoro-2-[(5-methoxycarbonylpyridine-3-carbonyl)carbamoyl]-3-[3-(1-methylprop-2-ynoxy)phenyl]cyclohexanecarboxylic acid CAS Name: 3-(3-but-3-yn-2-yloxyphenyl)-4-chloro-2-fluoro-2-[[[(5-methoxycarbonyl-3-pyridinyl)-oxomethyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-(3-but-3-yn-2-yloxyphenyl)-4-chloro-2-fluoro-2-[(5-methoxycarbonylpyridine-3-carbonyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(5-carbomethoxynicotinoyl)carbamoyl]-4-chloro-2-fluoro-3-[3-(1-methylprop-2-ynoxy)phenyl]cyclohexanecarboxylic acid Formula: C26H24ClFN2O7 MolecularWeight: 530.929363

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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=CC(=CN=C3)C(=O)OC)F)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClFN2O7/c1-4-14(2)37-18-7-5-6-15(11-18)21-20(27)9-8-19(23(32)33)26(21,28)25(35)30-22(31)16-10-17(13-29-12-16)24(34)36-3/h1,5-7,10-14,19-21H,8-9H2,2-3H3,(H,32,33)(H,30,31,35)