4-[7-(2,2-dimethylpropylcarbamoyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzoic acid

Systemtic Name: 4-[7-(2,2-dimethylpropylcarbamoyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzoic acid Openeye Name: 4-[7-(2,2-dimethylpropylcarbamoyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzoic acid CAS Name: 4-[7-[(2,2-dimethylpropylamino)-oxomethyl]-1,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzoic acid IUPAC Name: 4-[7-(2,2-dimethylpropylcarbamoyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzoic acid Traditional Name: 4-[7-(neopentylcarbamoyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl]benzoic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)C1=CC2=C(CC3=C2NN=C3C4=CC=C(C=C4)C(=O)O)C=C1

Isomeric SMILES

CC(C)(C)CNC(=O)C1=CC2=C(CC3=C2NN=C3C4=CC=C(C=C4)C(=O)O)C=C1

InChI

InChI=1S/C23H23N3O3/c1-23(2,3)12-24-21(27)16-9-8-15-10-18-19(25-26-20(18)17(15)11-16)13-4-6-14(7-5-13)22(28)29/h4-9,11H,10,12H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)