2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-3-carboxylic acid

Systemtic Name: 2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-3-carboxylic acid Openeye Name: 2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-thiophene-3-carboxylic acid CAS Name: 2-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-3-thiophenecarboxylic acid IUPAC Name: 2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-phenylthiophene-3-carboxylic acid Traditional Name: 2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-phenyl-3-thenoic acid Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(C=C(S2)C3=CC=CC=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(C=C(S2)C3=CC=CC=C3)C(=O)O)C(C)C

InChI

InChI=1S/C22H27NO3S/c1-14(2)23(20(24)17-11-9-15(3)10-12-17)21-18(22(25)26)13-19(27-21)16-7-5-4-6-8-16/h4-8,13-15,17H,9-12H2,1-3H3,(H,25,26)