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

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-[4-[(Z)-2-phenylethenyl]phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[4-[(Z)-styryl]phenyl]pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-[4-[(Z)-2-phenylethenyl]phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-[4-[(Z)-2-phenylethenyl]phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[4-[(Z)-styryl]phenyl]pyrazole-4-carboxylic acid Formula: C29H33N3O3 MolecularWeight: 471.59062

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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)C=CC4=CC=CC=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O3/c1-20(2)32(28(33)24-15-9-21(3)10-16-24)27-26(29(34)35)19-31(30-27)25-17-13-23(14-18-25)12-11-22-7-5-4-6-8-22/h4-8,11-14,17-21,24H,9-10,15-16H2,1-3H3,(H,34,35)/b12-11-