tert-butyl 2-[7-(3-azanylpropoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-(3-azanylpropoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[7-(3-aminopropoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[7-(3-aminopropoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-(3-aminopropoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[7-(3-aminopropoxy)-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-18(2,3)24-16(21)12-20-9-7-13-5-6-14(23-10-4-8-19)11-15(13)17(20)22/h5-6,11H,4,7-10,12,19H2,1-3H3