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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6/c1-4-5-6-23(26)24-12-11-16-13-21(29-2)22(30-3)14-19(16)20(24)15-31-18-9-7-17(8-10-18)25(27)28/h7-10,13-14,20H,4-6,11-12,15H2,1-3H3/t20-/m0/s1