(5-ethanoyl-2-methoxy-phenyl)methyl 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate CAS Name: 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate Traditional Name: 3-[(3aS,7aS)-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl]propionic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCN2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O

InChI

InChI=1S/C21H23NO6/c1-13(23)14-7-8-18(27-2)15(11-14)12-28-19(24)9-10-22-20(25)16-5-3-4-6-17(16)21(22)26/h3-4,7-8,11,16-17H,5-6,9-10,12H2,1-2H3/t16-,17-/m0/s1