4-bromanyl-2-(3,4-dihydroisoquinolin-3-yl)-3-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 4-bromanyl-2-(3,4-dihydroisoquinolin-3-yl)-3-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-bromo-2-(3,4-dihydroisoquinolin-3-yl)-3-oxo-2-phenyl-butanoic acid CAS Name: 4-bromo-2-(3,4-dihydroisoquinolin-3-yl)-3-oxo-2-phenylbutanoic acid IUPAC Name: 4-bromo-2-(3,4-dihydroisoquinolin-3-yl)-3-oxo-2-phenylbutanoic acid Traditional Name: 4-bromo-2-(3,4-dihydroisoquinolin-3-yl)-3-keto-2-phenyl-butyric acid Formula: C19H16BrNO3 MolecularWeight: 386.23924

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=CC2=CC=CC=C21)C(C3=CC=CC=C3)(C(=O)CBr)C(=O)O

Isomeric SMILES

C1C(N=CC2=CC=CC=C21)C(C3=CC=CC=C3)(C(=O)CBr)C(=O)O

InChI

InChI=1S/C19H16BrNO3/c20-11-17(22)19(18(23)24,15-8-2-1-3-9-15)16-10-13-6-4-5-7-14(13)12-21-16/h1-9,12,16H,10-11H2,(H,23,24)