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

Systemtic Name: (3S)-3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]phthalide Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C[C@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H22N2O4/c1-15(25)16-6-8-17(9-7-16)23-10-12-24(13-11-23)21(26)14-20-18-4-2-3-5-19(18)22(27)28-20/h2-9,20H,10-14H2,1H3/t20-/m0/s1