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

Systemtic Name: 1-[(E)-2-cyclohexylethenyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-[(E)-2-cyclohexylvinyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-[(E)-2-cyclohexylethenyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(E)-2-cyclohexylethenyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-[(E)-2-cyclohexylvinyl]-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)C=CC3CCCCC3)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)/C=C/C3CCCCC3)C(C)C

InChI

InChI=1S/C23H35N3O3/c1-16(2)26(22(27)19-11-9-17(3)10-12-19)21-20(23(28)29)15-25(24-21)14-13-18-7-5-4-6-8-18/h13-19H,4-12H2,1-3H3,(H,28,29)/b14-13+