1,3-benzodioxol-5-yl (2S,3S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanoate

Systemtic Name: 1,3-benzodioxol-5-yl (2S,3S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-pentanoate Openeye Name: 1,3-benzodioxol-5-yl (2S,3S)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-pentanoate CAS Name: (2S,3S)-2-(1,3-dioxo-2-isoindolyl)-3-methylpentanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate Traditional Name: (2S,3S)-3-methyl-2-phthalimido-valeric acid 1,3-benzodioxol-5-yl ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC1=CC2=C(C=C1)OCO2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19NO6/c1-3-12(2)18(22-19(23)14-6-4-5-7-15(14)20(22)24)21(25)28-13-8-9-16-17(10-13)27-11-26-16/h4-10,12,18H,3,11H2,1-2H3/t12-,18-/m0/s1