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

Systemtic Name: 1-(3-methoxyphenyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-methoxyphenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-methoxyphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC(=CC=C3)OC)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC(=CC=C3)OC)C(C)C

InChI

InChI=1S/C22H29N3O4/c1-14(2)25(21(26)16-10-8-15(3)9-11-16)20-19(22(27)28)13-24(23-20)17-6-5-7-18(12-17)29-4/h5-7,12-16H,8-11H2,1-4H3,(H,27,28)