2-[2-(4-bromanylphenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-(4-bromophenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-(4-bromophenoxy)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-(4-bromophenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-(4-bromophenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)COC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)COC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H16BrNO4/c19-14-5-7-15(8-6-14)24-11-17(21)20-10-13-4-2-1-3-12(13)9-16(20)18(22)23/h1-8,16H,9-11H2,(H,22,23)