(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate CAS Name: 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate Traditional Name: 3-[(3aS,7aS)-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H24ClNO6/c22-16-10-13(11-17-19(16)28-9-3-8-27-17)12-29-18(24)6-7-23-20(25)14-4-1-2-5-15(14)21(23)26/h10-11,14-15H,1-9,12H2/t14-,15-/m0/s1