2-[2-(naphthalen-2-ylmethyl)-3-oxidanylidene-5-(pyrazol-1-ylmethyl)-1H-isoindol-1-yl]ethanoic acid

Systemtic Name: 2-[2-(naphthalen-2-ylmethyl)-3-oxidanylidene-5-(pyrazol-1-ylmethyl)-1H-isoindol-1-yl]ethanoic acid Openeye Name: 2-[2-(2-naphthylmethyl)-3-oxo-5-(pyrazol-1-ylmethyl)isoindolin-1-yl]acetic acid CAS Name: 2-[2-(2-naphthalenylmethyl)-3-oxo-5-(1-pyrazolylmethyl)-1H-isoindol-1-yl]acetic acid IUPAC Name: 2-[2-(naphthalen-2-ylmethyl)-3-oxo-5-(pyrazol-1-ylmethyl)-1H-isoindol-1-yl]acetic acid Traditional Name: 2-[3-keto-2-(2-naphthylmethyl)-5-(pyrazol-1-ylmethyl)isoindolin-1-yl]acetic acid Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C(C4=C(C3=O)C=C(C=C4)CN5C=CC=N5)CC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C(C4=C(C3=O)C=C(C=C4)CN5C=CC=N5)CC(=O)O

InChI

InChI=1S/C25H21N3O3/c29-24(30)14-23-21-9-7-18(15-27-11-3-10-26-27)13-22(21)25(31)28(23)16-17-6-8-19-4-1-2-5-20(19)12-17/h1-13,23H,14-16H2,(H,29,30)