[(3aS,4S,7aS)-2,5-dimethyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-4-yl] 2-phenylethanoate

Systemtic Name: [(3aS,4S,7aS)-2,5-dimethyl-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-4-yl] 2-phenylethanoate Openeye Name: [(3aS,4S,7aS)-2,5-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl] 2-phenylacetate CAS Name: 2-phenylacetic acid [(3aS,4S,7aS)-2,5-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl] ester IUPAC Name: [(3aS,4S,7aS)-2,5-dimethyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl] 2-phenylacetate Traditional Name: 2-phenylacetic acid [(3aS,4S,7aS)-1,3-diketo-2,5-dimethyl-3a,4,7,7a-tetrahydroisoindol-4-yl] ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1OC(=O)CC3=CC=CC=C3)C(=O)N(C2=O)C

Isomeric SMILES

CC1=CC[C@H]2[C@@H]([C@@H]1OC(=O)CC3=CC=CC=C3)C(=O)N(C2=O)C

InChI

InChI=1S/C18H19NO4/c1-11-8-9-13-15(18(22)19(2)17(13)21)16(11)23-14(20)10-12-6-4-3-5-7-12/h3-8,13,15-16H,9-10H2,1-2H3/t13-,15-,16+/m0/s1