4-bromanyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-benzofuran-2-carboxylic acid Openeye Name: 4-bromo-5-(3,4-dihydro-1H-isoquinolin-2-yl)benzofuran-2-carboxylic acid CAS Name: 4-bromo-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-benzofurancarboxylic acid IUPAC Name: 4-bromo-5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-benzofuran-2-carboxylic acid Traditional Name: 4-bromo-5-(3,4-dihydro-1H-isoquinolin-2-yl)coumarilic acid Formula: C18H14BrNO3 MolecularWeight: 372.21266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrNO3/c19-17-13-9-16(18(21)22)23-15(13)6-5-14(17)20-8-7-11-3-1-2-4-12(11)10-20/h1-6,9H,7-8,10H2,(H,21,22)