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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(C(CC2=C1)C(=O)O)C(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(C(CC2=C1)C(=O)O)C(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C19H27NO6/c1-6-24-15-9-12-8-14(17(21)22)20(18(23)26-19(3,4)5)11-13(12)10-16(15)25-7-2/h9-10,14H,6-8,11H2,1-5H3,(H,21,22)