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

Systemtic Name: 1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-[(E)-3,3-dimethylbut-1-enyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-[(E)-3,3-dimethylbut-1-enyl]-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-[(E)-3,3-dimethylbut-1-enyl]-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C21H33N3O3 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C=CC(C)(C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3/c1-14(2)24(19(25)16-9-7-15(3)8-10-16)18-17(20(26)27)13-23(22-18)12-11-21(4,5)6/h11-16H,7-10H2,1-6H3,(H,26,27)/b12-11+