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

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-6-yl)-3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]pyrazole-4-carboxylic acid Openeye Name: 1-(2,3-dihydrobenzofuran-6-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid CAS Name: 1-(2,3-dihydrobenzofuran-6-yl)-3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-4-pyrazolecarboxylic acid IUPAC Name: 1-(2,3-dihydro-1-benzofuran-6-yl)-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]pyrazole-4-carboxylic acid Traditional Name: 1-coumaran-6-yl-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]pyrazole-4-carboxylic acid Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC4=C(CCO4)C=C3)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC4=C(CCO4)C=C3)C(C)C

InChI

InChI=1S/C23H29N3O4/c1-14(2)26(22(27)17-6-4-15(3)5-7-17)21-19(23(28)29)13-25(24-21)18-9-8-16-10-11-30-20(16)12-18/h8-9,12-15,17H,4-7,10-11H2,1-3H3,(H,28,29)