2-(3,4-dihydroisoquinolin-1-yl)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(3,4-dihydroisoquinolin-1-yl)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-tert-butoxy-2-(3,4-dihydroisoquinolin-1-yl)-3-oxo-propanoic acid CAS Name: 2-(3,4-dihydroisoquinolin-1-yl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid IUPAC Name: 2-(3,4-dihydroisoquinolin-1-yl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid Traditional Name: 3-tert-butoxy-2-(3,4-dihydroisoquinolin-1-yl)-3-keto-propionic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=NCCC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=NCCC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H19NO4/c1-16(2,3)21-15(20)12(14(18)19)13-11-7-5-4-6-10(11)8-9-17-13/h4-7,12H,8-9H2,1-3H3,(H,18,19)