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

Systemtic Name: (3S)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[2-[4-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[2-keto-2-[4-(3-methoxyphenyl)piperazino]ethyl]phthalide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C[C@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H22N2O4/c1-26-16-6-4-5-15(13-16)22-9-11-23(12-10-22)20(24)14-19-17-7-2-3-8-18(17)21(25)27-19/h2-8,13,19H,9-12,14H2,1H3/t19-/m0/s1