tert-butyl 2-[6-(5-azanylpentoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-(5-azanylpentoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-(5-aminopentoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-(5-aminopentoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-(5-aminopentoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[6-(5-aminopentoxy)-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-20(2,3)26-18(23)14-22-11-9-15-13-16(7-8-17(15)19(22)24)25-12-6-4-5-10-21/h7-8,13H,4-6,9-12,14,21H2,1-3H3