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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3/c1-14(2)7-6-12-23-13-18(21(26)27)19(22-23)24(15(3)4)20(25)17-10-8-16(5)9-11-17/h6,12-17H,7-11H2,1-5H3,(H,26,27)/b12-6+