tert-butyl 2-[6-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[3-(1,3-dioxoisoindolin-2-yl)propoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[3-(1,3-dioxo-2-isoindolyl)propoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[3-(1,3-dioxoisoindol-2-yl)propoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[1-keto-6-(3-phthalimidopropoxy)-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H28N2O6/c1-26(2,3)34-22(29)16-27-13-11-17-15-18(9-10-19(17)23(27)30)33-14-6-12-28-24(31)20-7-4-5-8-21(20)25(28)32/h4-5,7-10,15H,6,11-14,16H2,1-3H3