1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C23H29N3O5 MolecularWeight: 427.49346

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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)OCCO4)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC4=C(C=C3)OCCO4)C(C)C

InChI

InChI=1S/C23H29N3O5/c1-14(2)26(22(27)16-6-4-15(3)5-7-16)21-18(23(28)29)13-25(24-21)17-8-9-19-20(12-17)31-11-10-30-19/h8-9,12-16H,4-7,10-11H2,1-3H3,(H,28,29)