(1S)-6,7-diethoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: (1S)-6,7-diethoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: (1S)-2-tert-butoxycarbonyl-6,7-diethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: (1S)-6,7-diethoxy-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: (1S)-6,7-diethoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: (1S)-2-tert-butoxycarbonyl-6,7-diethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C19H27NO6 MolecularWeight: 365.42078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)OC(C)(C)C)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@H](N(CCC2=C1)C(=O)OC(C)(C)C)C(=O)O)OCC

InChI

InChI=1S/C19H27NO6/c1-6-24-14-10-12-8-9-20(18(23)26-19(3,4)5)16(17(21)22)13(12)11-15(14)25-7-2/h10-11,16H,6-9H2,1-5H3,(H,21,22)/t16-/m0/s1