2-(5-bromanyl-1H-indol-3-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoic acid

Systemtic Name: 2-(5-bromanyl-1H-indol-3-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoic acid Openeye Name: 2-(5-bromo-1H-indol-3-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid CAS Name: 2-(5-bromo-1H-indol-3-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid IUPAC Name: 2-(5-bromo-1H-indol-3-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid Traditional Name: 2-(5-bromo-1H-indol-3-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid Formula: C19H17BrN2O2 MolecularWeight: 385.25448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C19H17BrN2O2/c20-14-5-6-17-15(9-14)16(10-21-17)18(19(23)24)22-8-7-12-3-1-2-4-13(12)11-22/h1-6,9-10,18,21H,7-8,11H2,(H,23,24)