2-[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]ethanoate

Systemtic Name: 2-[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]ethanoate Openeye Name: 2-[(3S)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetate CAS Name: 2-[(3S)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetate IUPAC Name: 2-[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]acetate Traditional Name: 2-[(3S)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinolin-3-yl]acetate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1CC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1CC(=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-10-12-7-5-4-6-11(12)8-13(17)9-14(18)19/h4-7,13H,8-10H2,1-3H3,(H,18,19)/p-1/t13-/m0/s1