3-(3-but-3-yn-2-yloxyphenyl)-2,4-bis(chloranyl)-2-(pyridin-3-ylcarbonylcarbamoyl)cyclohexane-1-carboxylic acid

Systemtic Name: 3-(3-but-3-yn-2-yloxyphenyl)-2,4-bis(chloranyl)-2-(pyridin-3-ylcarbonylcarbamoyl)cyclohexane-1-carboxylic acid Openeye Name: 2,4-dichloro-3-[3-(1-methylprop-2-ynoxy)phenyl]-2-(pyridine-3-carbonylcarbamoyl)cyclohexanecarboxylic acid CAS Name: 3-(3-but-3-yn-2-yloxyphenyl)-2,4-dichloro-2-[oxo-[[oxo(3-pyridinyl)methyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 3-(3-but-3-yn-2-yloxyphenyl)-2,4-dichloro-2-(pyridine-3-carbonylcarbamoyl)cyclohexane-1-carboxylic acid Traditional Name: 2,4-dichloro-3-[3-(1-methylprop-2-ynoxy)phenyl]-2-(nicotinoylcarbamoyl)cyclohexanecarboxylic acid Formula: C24H22Cl2N2O5 MolecularWeight: 489.34788

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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=CC=C3)Cl)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H22Cl2N2O5/c1-3-14(2)33-17-8-4-6-15(12-17)20-19(25)10-9-18(22(30)31)24(20,26)23(32)28-21(29)16-7-5-11-27-13-16/h1,4-8,11-14,18-20H,9-10H2,2H3,(H,30,31)(H,28,29,32)