5-[2-(4-cyclopentyloxyphenyl)-3-oxidanyl-3-oxidanylidene-propyl]-1H-indazole-3-carboxylic acid

Systemtic Name: 5-[2-(4-cyclopentyloxyphenyl)-3-oxidanyl-3-oxidanylidene-propyl]-1H-indazole-3-carboxylic acid Openeye Name: 5-[2-[4-(cyclopentoxy)phenyl]-3-hydroxy-3-oxo-propyl]-1H-indazole-3-carboxylic acid CAS Name: 5-[2-(4-cyclopentyloxyphenyl)-3-hydroxy-3-oxopropyl]-1H-indazole-3-carboxylic acid IUPAC Name: 5-[2-(4-cyclopentyloxyphenyl)-3-hydroxy-3-oxopropyl]-1H-indazole-3-carboxylic acid Traditional Name: 5-[2-[4-(cyclopentoxy)phenyl]-3-hydroxy-3-keto-propyl]-1H-indazole-3-carboxylic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)NN=C4C(=O)O)C(=O)O

Isomeric SMILES

C1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)NN=C4C(=O)O)C(=O)O

InChI

InChI=1S/C22H22N2O5/c25-21(26)17(14-6-8-16(9-7-14)29-15-3-1-2-4-15)11-13-5-10-19-18(12-13)20(22(27)28)24-23-19/h5-10,12,15,17H,1-4,11H2,(H,23,24)(H,25,26)(H,27,28)