1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-methylphenoxy)ethanone

Systemtic Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-methylphenoxy)ethanone Openeye Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-methylphenoxy)ethanone CAS Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-methylphenoxy)ethanone IUPAC Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-methylphenoxy)ethanone Traditional Name: 1-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-(2-methylphenoxy)ethanone Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC(=CC=C4)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC(=CC=C4)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C26H26N2O6/c1-17-7-4-5-10-22(17)34-16-25(29)27-12-11-18-14-23(32-2)24(33-3)15-21(18)26(27)19-8-6-9-20(13-19)28(30)31/h4-10,13-15,26H,11-12,16H2,1-3H3