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

Systemtic Name: 1-(3-chloranyl-4-phenylmethoxy-phenyl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-(4-benzyloxy-3-chloro-phenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-phenylmethoxyphenyl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-phenylmethoxyphenyl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-(4-benzoxy-3-chloro-phenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C28H32ClN3O4 MolecularWeight: 510.02438

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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)Cl)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)Cl)C(C)C

InChI

InChI=1S/C28H32ClN3O4/c1-18(2)32(27(33)21-11-9-19(3)10-12-21)26-23(28(34)35)16-31(30-26)22-13-14-25(24(29)15-22)36-17-20-7-5-4-6-8-20/h4-8,13-16,18-19,21H,9-12,17H2,1-3H3,(H,34,35)