5,7-bis(chloranyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid

Systemtic Name: 5,7-bis(chloranyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Openeye Name: 2-tert-butoxycarbonyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carboxylic acid CAS Name: 5,7-dichloro-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid IUPAC Name: 5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Traditional Name: 2-tert-butoxycarbonyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Formula: C15H17Cl2NO4 MolecularWeight: 346.20578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C1)Cl)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C(=C(C=C2C1)Cl)C(=O)O)Cl

InChI

InChI=1S/C15H17Cl2NO4/c1-15(2,3)22-14(21)18-5-4-9-8(7-18)6-10(16)11(12(9)17)13(19)20/h6H,4-5,7H2,1-3H3,(H,19,20)