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

Systemtic Name: 2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-pyridin-3-yl-thiophene-3-carboxylic acid Openeye Name: 2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(3-pyridyl)thiophene-3-carboxylic acid CAS Name: 2-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-(3-pyridinyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid Traditional Name: 2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-5-(3-pyridyl)-3-thenoic acid Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-13(2)23(19(24)15-8-6-14(3)7-9-15)20-17(21(25)26)11-18(27-20)16-5-4-10-22-12-16/h4-5,10-15H,6-9H2,1-3H3,(H,25,26)