2-[2-[3-(phenylcarbonyloxy)phenyl]-1,5-dihydropyrazol-5-yl]-6H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-[2-[3-(phenylcarbonyloxy)phenyl]-1,5-dihydropyrazol-5-yl]-6H-isoquinoline-1-carboxylic acid Openeye Name: 2-[2-(3-benzoyloxyphenyl)-1,5-dihydropyrazol-5-yl]-6H-isoquinoline-1-carboxylic acid CAS Name: 2-[2-(3-benzoyloxyphenyl)-1,5-dihydropyrazol-5-yl]-6H-isoquinoline-1-carboxylic acid IUPAC Name: 2-[2-(3-benzoyloxyphenyl)-1,5-dihydropyrazol-5-yl]-6H-isoquinoline-1-carboxylic acid Traditional Name: 2-[1-(3-benzoyloxyphenyl)-3-pyrazolin-3-yl]-6H-isoquinoline-1-carboxylic acid Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=C(N(C=CC2=C1)C3C=CN(N3)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C=CC2=C(N(C=CC2=C1)C3C=CN(N3)C4=CC(=CC=C4)OC(=O)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C26H21N3O4/c30-25(31)24-22-12-5-4-7-18(22)13-15-28(24)23-14-16-29(27-23)20-10-6-11-21(17-20)33-26(32)19-8-2-1-3-9-19/h1-3,5-17,23,27H,4H2,(H,30,31)