[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: [2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxidanylidene-ethyl] 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: [2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxo-ethyl] 4-(1,3-dioxoisoindolin-2-yl)butanoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)butanoic acid [2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-phthalimidobutyric acid [2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-keto-ethyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)CCCN2C(=O)COC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC[C@H]2[C@@H](C1)CCCN2C(=O)COC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H28N2O5/c26-20(24-13-5-8-16-7-1-4-11-19(16)24)15-30-21(27)12-6-14-25-22(28)17-9-2-3-10-18(17)23(25)29/h2-3,9-10,16,19H,1,4-8,11-15H2/t16-,19-/m0/s1