[(3aR,4S,7aR)-1,3-bis(oxidanylidene)-2-(phenylmethyl)-3a,4,7,7a-tetrahydroisoindol-4-yl] ethanoate

Systemtic Name: [(3aR,4S,7aR)-1,3-bis(oxidanylidene)-2-(phenylmethyl)-3a,4,7,7a-tetrahydroisoindol-4-yl] ethanoate Openeye Name: [(3aR,4S,7aR)-2-benzyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl] acetate CAS Name: acetic acid [(3aR,4S,7aR)-1,3-dioxo-2-(phenylmethyl)-3a,4,7,7a-tetrahydroisoindol-4-yl] ester IUPAC Name: [(3aR,4S,7aR)-2-benzyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl] acetate Traditional Name: acetic acid [(3aR,4S,7aR)-2-benzyl-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-4-yl] ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=CCC2C1C(=O)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@H]1C=CC[C@@H]2[C@H]1C(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H17NO4/c1-11(19)22-14-9-5-8-13-15(14)17(21)18(16(13)20)10-12-6-3-2-4-7-12/h2-7,9,13-15H,8,10H2,1H3/t13-,14+,15-/m1/s1