1-(1,3-benzodioxol-5-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC4=C(C=C3)OCO4)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC4=C(C=C3)OCO4)C(C)C

InChI

InChI=1S/C22H27N3O5/c1-13(2)25(21(26)15-6-4-14(3)5-7-15)20-17(22(27)28)11-24(23-20)16-8-9-18-19(10-16)30-12-29-18/h8-11,13-15H,4-7,12H2,1-3H3,(H,27,28)