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

Systemtic Name: 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxidanyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-tert-butoxycarbonyl-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 7-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 7-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-tert-butoxycarbonyl-7-hydroxy-3-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)O)C(N1C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1CC2=C(C=C(C=C2)O)C(N1C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C16H21NO5/c1-9-7-10-5-6-11(18)8-12(10)13(14(19)20)17(9)15(21)22-16(2,3)4/h5-6,8-9,13,18H,7H2,1-4H3,(H,19,20)