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

Systemtic Name: 4-[5-(3-oxidanyl-2-phenyl-propanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Openeye Name: 4-[5-(3-hydroxy-2-phenyl-propanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid CAS Name: 4-[5-(3-hydroxy-1-oxo-2-phenylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid IUPAC Name: 4-[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Traditional Name: 4-(5-tropoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)benzoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c25-12-17(13-4-2-1-3-5-13)20(26)24-10-16-18(11-24)22-23-19(16)14-6-8-15(9-7-14)21(27)28/h1-9,17,25H,10-12H2,(H,22,23)(H,27,28)