2-(5,6-dimethyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl)-2-pyridin-3-yl-ethanoic acid

Systemtic Name: 2-(5,6-dimethyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl)-2-pyridin-3-yl-ethanoic acid Openeye Name: 2-(5,6-dimethyl-3-oxo-isoindolin-1-yl)-2-(3-pyridyl)acetic acid CAS Name: 2-(5,6-dimethyl-3-oxo-1,2-dihydroisoindol-1-yl)-2-(3-pyridinyl)acetic acid IUPAC Name: 2-(5,6-dimethyl-3-oxo-1,2-dihydroisoindol-1-yl)-2-pyridin-3-ylacetic acid Traditional Name: 2-(3-keto-5,6-dimethyl-isoindolin-1-yl)-2-(3-pyridyl)acetic acid Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(NC2=O)C(C3=CN=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(NC2=O)C(C3=CN=CC=C3)C(=O)O)C

InChI

InChI=1S/C17H16N2O3/c1-9-6-12-13(7-10(9)2)16(20)19-15(12)14(17(21)22)11-4-3-5-18-8-11/h3-8,14-15H,1-2H3,(H,19,20)(H,21,22)