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

Systemtic Name: tert-butyl 2-[6-(4-azanylbutoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-(4-aminobutoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-(4-aminobutoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-(4-aminobutoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[6-(4-aminobutoxy)-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4/c1-19(2,3)25-17(22)13-21-10-8-14-12-15(24-11-5-4-9-20)6-7-16(14)18(21)23/h6-7,12H,4-5,8-11,13,20H2,1-3H3