2-aminocarbonyl-3-(3-but-3-yn-2-yloxyphenyl)-4-chloranyl-2-fluoranyl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-aminocarbonyl-3-(3-but-3-yn-2-yloxyphenyl)-4-chloranyl-2-fluoranyl-cyclohexane-1-carboxylic acid Openeye Name: 2-carbamoyl-4-chloro-2-fluoro-3-[3-(1-methylprop-2-ynoxy)phenyl]cyclohexanecarboxylic acid CAS Name: 3-(3-but-3-yn-2-yloxyphenyl)-2-carbamoyl-4-chloro-2-fluoro-1-cyclohexanecarboxylic acid IUPAC Name: 3-(3-but-3-yn-2-yloxyphenyl)-2-carbamoyl-4-chloro-2-fluorocyclohexane-1-carboxylic acid Traditional Name: 2-carbamoyl-4-chloro-2-fluoro-3-[3-(1-methylprop-2-ynoxy)phenyl]cyclohexanecarboxylic acid Formula: C18H19ClFNO4 MolecularWeight: 367.799163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC1=CC=CC(=C1)C2C(CCC(C2(C(=O)N)F)C(=O)O)Cl

Isomeric SMILES

CC(C#C)OC1=CC=CC(=C1)C2C(CCC(C2(C(=O)N)F)C(=O)O)Cl

InChI

InChI=1S/C18H19ClFNO4/c1-3-10(2)25-12-6-4-5-11(9-12)15-14(19)8-7-13(16(22)23)18(15,20)17(21)24/h1,4-6,9-10,13-15H,7-8H2,2H3,(H2,21,24)(H,22,23)