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

Systemtic Name: methyl 2-[1-(1,3-dihydroisoindol-2-yl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoate Openeye Name: methyl 2-(1-isoindolin-2-yl-4-oxo-cyclohexa-2,5-dien-1-yl)propanoate CAS Name: 2-[1-(1,3-dihydroisoindol-2-yl)-4-oxo-1-cyclohexa-2,5-dienyl]propanoic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-dihydroisoindol-2-yl)-4-oxocyclohexa-2,5-dien-1-yl]propanoate Traditional Name: 2-(1-isoindolin-2-yl-4-keto-cyclohexa-2,5-dien-1-yl)propionic acid methyl ester Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3/c1-13(17(21)22-2)18(9-7-16(20)8-10-18)19-11-14-5-3-4-6-15(14)12-19/h3-10,13H,11-12H2,1-2H3