(3S)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[2-[4-(o-tolyl)piperazin-1-yl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[2-[4-(2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[2-keto-2-[4-(o-tolyl)piperazino]ethyl]phthalide Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C[C@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H22N2O3/c1-15-6-2-5-9-18(15)22-10-12-23(13-11-22)20(24)14-19-16-7-3-4-8-17(16)21(25)26-19/h2-9,19H,10-14H2,1H3/t19-/m0/s1