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

Systemtic Name: 6-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-tert-butoxycarbonyl-6-chloro-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 6-chloro-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 6-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-tert-butoxycarbonyl-6-chloro-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C15H18ClNO4 MolecularWeight: 311.76072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)O)C=CC(=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)O)C=CC(=C2)Cl

InChI

InChI=1S/C15H18ClNO4/c1-15(2,3)21-14(20)17-7-6-9-8-10(16)4-5-11(9)12(17)13(18)19/h4-5,8,12H,6-7H2,1-3H3,(H,18,19)