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

Systemtic Name: 3-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-tert-butoxycarbonyl-3-ethyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 3-ethyl-7-hydroxy-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 3-ethyl-7-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-tert-butoxycarbonyl-3-ethyl-7-hydroxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C=C(C=C2)O)C(N1C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CCC1CC2=C(C=C(C=C2)O)C(N1C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C17H23NO5/c1-5-11-8-10-6-7-12(19)9-13(10)14(15(20)21)18(11)16(22)23-17(2,3)4/h6-7,9,11,14,19H,5,8H2,1-4H3,(H,20,21)