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

Systemtic Name: 4-[5-(3-azanyl-2-phenyl-propanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Openeye Name: 4-[5-(3-amino-2-phenyl-propanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid CAS Name: 4-[5-(3-amino-1-oxo-2-phenylpropyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid IUPAC Name: 4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Traditional Name: 4-[5-(3-amino-2-phenyl-propanoyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3/c22-10-16(13-4-2-1-3-5-13)20(26)25-11-17-18(12-25)23-24-19(17)14-6-8-15(9-7-14)21(27)28/h1-9,16H,10-12,22H2,(H,23,24)(H,27,28)