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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-(4-phenylmethoxyphenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-benzyloxyphenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-(4-phenylmethoxyphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-(4-phenylmethoxyphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-benzoxyphenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C28H33N3O4/c1-19(2)31(27(32)22-11-9-20(3)10-12-22)26-25(28(33)34)17-30(29-26)23-13-15-24(16-14-23)35-18-21-7-5-4-6-8-21/h4-8,13-17,19-20,22H,9-12,18H2,1-3H3,(H,33,34)