[4-[(3aR,5R,7aS)-5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] ethanoate

Systemtic Name: [4-[(3aR,5R,7aS)-5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] ethanoate Openeye Name: [4-[(3aR,5R,7aS)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] acetate CAS Name: acetic acid [4-[(3aR,5R,7aS)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] ester IUPAC Name: [4-[(3aR,5R,7aS)-5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] acetate Traditional Name: acetic acid [4-[(3aR,5R,7aS)-1,3-diketo-5-methyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl] ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C17H19NO4/c1-10-3-8-14-15(9-10)17(21)18(16(14)20)12-4-6-13(7-5-12)22-11(2)19/h4-7,10,14-15H,3,8-9H2,1-2H3/t10-,14+,15-/m1/s1