tert-butyl 2-azanyl-3-(6-oxidanyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)propanoate

Systemtic Name: tert-butyl 2-azanyl-3-(6-oxidanyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)propanoate Openeye Name: tert-butyl 2-amino-3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate CAS Name: 2-amino-3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate Traditional Name: 2-amino-3-(6-hydroxy-1-keto-3,4-dihydroisoquinolin-2-yl)propionic acid tert-butyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)13(17)9-18-7-6-10-8-11(19)4-5-12(10)14(18)20/h4-5,8,13,19H,6-7,9,17H2,1-3H3