3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]phthalide Formula: C19H17NO3 MolecularWeight: 307.34318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CC3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C19H17NO3/c21-18(20-10-9-13-5-1-2-6-14(13)12-20)11-17-15-7-3-4-8-16(15)19(22)23-17/h1-8,17H,9-12H2