3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]phthalide Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C16H19NO3/c18-15(17-9-5-1-2-6-10-17)11-14-12-7-3-4-8-13(12)16(19)20-14/h3-4,7-8,14H,1-2,5-6,9-11H2