1-[(1R)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[(1R)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Openeye Name: 1-[(1R)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one CAS Name: 1-[(1R)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-butanone IUPAC Name: 1-[(1R)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylbutan-1-one Traditional Name: 1-[(1R)-6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-butan-1-one Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C)CC(=O)N1CCC2=CC(=C(C=C2[C@@H]1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C23H28N2O6/c1-15(2)11-23(26)24-10-9-16-12-21(29-3)22(30-4)13-19(16)20(24)14-31-18-7-5-17(6-8-18)25(27)28/h5-8,12-13,15,20H,9-11,14H2,1-4H3/t20-/m0/s1