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

Systemtic Name: tert-butyl 2-[6-(6-azanylhexoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-(6-aminohexoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-(6-aminohexoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-(6-aminohexoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[6-(6-aminohexoxy)-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCCCCCCN

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCCCCCCN

InChI

InChI=1S/C21H32N2O4/c1-21(2,3)27-19(24)15-23-12-10-16-14-17(8-9-18(16)20(23)25)26-13-7-5-4-6-11-22/h8-9,14H,4-7,10-13,15,22H2,1-3H3