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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-(4-phenylmethoxycyclohexen-1-yl)pyrazole-4-carboxylic acid Openeye Name: 1-(4-benzyloxycyclohexen-1-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-(4-phenylmethoxy-1-cyclohexenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-(4-phenylmethoxycyclohexen-1-yl)pyrazole-4-carboxylic acid Traditional Name: 1-(4-benzoxycyclohexen-1-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C28H37N3O4 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CCC(CC3)OCC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CCC(CC3)OCC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C28H37N3O4/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/h4-8,13,17,19-20,22,24H,9-12,14-16,18H2,1-3H3,(H,33,34)