3-[(1-fluoranyl-4-methyl-cyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(1-fluoranyl-4-methyl-cyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(1-fluoro-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(1-fluoro-4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(1-fluoro-4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(1-fluoro-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C22H26FNO3S MolecularWeight: 403.510143

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C)F

Isomeric SMILES

CC1CCC(CC1)(C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C)F

InChI

InChI=1S/C22H26FNO3S/c1-14(2)24(21(27)22(23)11-9-15(3)10-12-22)17-13-18(28-19(17)20(25)26)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,25,26)