3-[3-(phenylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[3-(phenylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 3-(3-benzyl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid CAS Name: 3-[3-(phenylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 3-(3-benzyl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid Traditional Name: 3-(3-benzyl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid Formula: C19H17N3O2 MolecularWeight: 319.35718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN=C2C1=C(NN2C3=CC=CC(=C3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

C1CN=C2C1=C(NN2C3=CC=CC(=C3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C19H17N3O2/c23-19(24)14-7-4-8-15(12-14)22-18-16(9-10-20-18)17(21-22)11-13-5-2-1-3-6-13/h1-8,12,21H,9-11H2,(H,23,24)