phenacyl 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methyl-pentanoate

Systemtic Name: phenacyl 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-methyl-pentanoate Openeye Name: phenacyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-pentanoate CAS Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methylpentanoic acid phenacyl ester IUPAC Name: phenacyl 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methylpentanoate Traditional Name: 2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-valeric acid phenacyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C22H25NO5/c1-14(2)12-18(22(27)28-13-19(24)15-8-4-3-5-9-15)23-20(25)16-10-6-7-11-17(16)21(23)26/h3-9,14,16-18H,10-13H2,1-2H3