N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]-2-nitro-benzamide

Systemtic Name: N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanyl-propoxy]phenyl]-2-nitro-benzamide Openeye Name: N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]-2-nitro-benzamide CAS Name: N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2-nitrobenzamide IUPAC Name: N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2-nitrobenzamide Traditional Name: N-[4-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxy-propoxy]phenyl]-2-nitro-benzamide Formula: C27H29N3O7 MolecularWeight: 507.53506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CC(COC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CC(COC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])O)OC

InChI

InChI=1S/C27H29N3O7/c1-35-25-13-18-11-12-29(15-19(18)14-26(25)36-2)16-21(31)17-37-22-9-7-20(8-10-22)28-27(32)23-5-3-4-6-24(23)30(33)34/h3-10,13-14,21,31H,11-12,15-17H2,1-2H3,(H,28,32)