7-bromanyl-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid

Systemtic Name: 7-bromanyl-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid Openeye Name: 7-bromo-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid CAS Name: 7-bromo-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid IUPAC Name: 7-bromo-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid Traditional Name: 7-bromo-2-carbethoxy-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid Formula: C14H16BrNO4 MolecularWeight: 342.18514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1(C)C(=O)O)C=C(C=C2)Br

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1(C)C(=O)O)C=C(C=C2)Br

InChI

InChI=1S/C14H16BrNO4/c1-3-20-13(19)16-7-6-9-4-5-10(15)8-11(9)14(16,2)12(17)18/h4-5,8H,3,6-7H2,1-2H3,(H,17,18)