methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate CAS Name: 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-bromophenyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C25H20BrNO5 MolecularWeight: 494.334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C3=C(N(CC4=CC=CC=C43)C5=CC=CC=C5Br)C(=O)OC

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C3=C(N(CC4=CC=CC=C43)C5=CC=CC=C5Br)C(=O)OC

InChI

InChI=1S/C25H20BrNO5/c1-29-20-11-16(12-21-24(20)32-14-31-21)22-17-8-4-3-7-15(17)13-27(23(22)25(28)30-2)19-10-6-5-9-18(19)26/h3-12H,13-14H2,1-2H3