1-(4,4-dimethylcyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid

Systemtic Name: 1-(4,4-dimethylcyclohexen-1-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-(4,4-dimethylcyclohexen-1-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-(4,4-dimethyl-1-cyclohexenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4,4-dimethylcyclohexen-1-yl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-(4,4-dimethylcyclohexen-1-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CCC(CC3)(C)C)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CCC(CC3)(C)C)C(C)C

InChI

InChI=1S/C23H35N3O3/c1-15(2)26(21(27)17-8-6-16(3)7-9-17)20-19(22(28)29)14-25(24-20)18-10-12-23(4,5)13-11-18/h10,14-17H,6-9,11-13H2,1-5H3,(H,28,29)