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

Systemtic Name: 4-[5-(4-azanyl-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Openeye Name: 4-[5-(4-amino-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid CAS Name: 4-[5-(4-amino-1-oxo-2-phenylbutyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid IUPAC Name: 4-[5-(4-amino-2-phenylbutanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Traditional Name: 4-[5-(4-amino-2-phenyl-butanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c23-11-10-17(14-4-2-1-3-5-14)21(27)26-12-18-19(13-26)24-25-20(18)15-6-8-16(9-7-15)22(28)29/h1-9,17H,10-13,23H2,(H,24,25)(H,28,29)