2-[1-(1,3-dihydroisoindol-2-yl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid

Systemtic Name: 2-[1-(1,3-dihydroisoindol-2-yl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid Openeye Name: 2-(1-isoindolin-2-yl-4-oxo-cyclohexa-2,5-dien-1-yl)propanoic acid CAS Name: 2-[1-(1,3-dihydroisoindol-2-yl)-4-oxo-1-cyclohexa-2,5-dienyl]propanoic acid IUPAC Name: 2-[1-(1,3-dihydroisoindol-2-yl)-4-oxocyclohexa-2,5-dien-1-yl]propanoic acid Traditional Name: 2-(1-isoindolin-2-yl-4-keto-cyclohexa-2,5-dien-1-yl)propionic acid Formula: C17H17NO3 MolecularWeight: 283.32178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)C1(C=CC(=O)C=C1)N2CC3=CC=CC=C3C2

Isomeric SMILES

CC(C(=O)O)C1(C=CC(=O)C=C1)N2CC3=CC=CC=C3C2

InChI

InChI=1S/C17H17NO3/c1-12(16(20)21)17(8-6-15(19)7-9-17)18-10-13-4-2-3-5-14(13)11-18/h2-9,12H,10-11H2,1H3,(H,20,21)