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

Systemtic Name: 1-(4-ethylphenyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-(4-ethylphenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-(4-ethylphenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-ethylphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-(4-ethylphenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=C(C(=N2)N(C(C)C)C(=O)C3CCC(CC3)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=C(C(=N2)N(C(C)C)C(=O)C3CCC(CC3)C)C(=O)O

InChI

InChI=1S/C23H31N3O3/c1-5-17-8-12-19(13-9-17)25-14-20(23(28)29)21(24-25)26(15(2)3)22(27)18-10-6-16(4)7-11-18/h8-9,12-16,18H,5-7,10-11H2,1-4H3,(H,28,29)