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

Systemtic Name: 3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C3CCN=C3N(N2)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C3CCN=C3N(N2)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H21N3O5/c1-27-16-10-13(11-17(28-2)19(16)29-3)18-15-7-8-22-20(15)24(23-18)14-6-4-5-12(9-14)21(25)26/h4-6,9-11,23H,7-8H2,1-3H3,(H,25,26)