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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-14(2)25(21(27)17-8-4-15(3)5-9-17)20-19(22(28)29)12-24(23-20)18-10-6-16(13-26)7-11-18/h6-7,10-12,14-15,17,26H,4-5,8-9,13H2,1-3H3,(H,28,29)