4-[5-(4-oxidanyl-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid

Systemtic Name: 4-[5-(4-oxidanyl-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Openeye Name: 4-[5-(4-hydroxy-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid CAS Name: 4-[5-(4-hydroxy-1-oxo-2-phenylbutyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid IUPAC Name: 4-[5-(4-hydroxy-2-phenylbutanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Traditional Name: 4-[5-(4-hydroxy-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1C(=O)C(CCO)C3=CC=CC=C3)NN=C2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C2=C(CN1C(=O)C(CCO)C3=CC=CC=C3)NN=C2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H21N3O4/c26-11-10-17(14-4-2-1-3-5-14)21(27)25-12-18-19(13-25)23-24-20(18)15-6-8-16(9-7-15)22(28)29/h1-9,17,26H,10-13H2,(H,23,24)(H,28,29)