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

Systemtic Name: 3-(3-pentan-3-yl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid Openeye Name: 3-[3-(1-ethylpropyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 3-(3-pentan-3-yl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid IUPAC Name: 3-(3-pentan-3-yl-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl)benzoic acid Traditional Name: 3-[3-(1-ethylpropyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2CCN=C2N(N1)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCC(CC)C1=C2CCN=C2N(N1)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H21N3O2/c1-3-11(4-2)15-14-8-9-18-16(14)20(19-15)13-7-5-6-12(10-13)17(21)22/h5-7,10-11,19H,3-4,8-9H2,1-2H3,(H,21,22)