methyl 2-[(1R)-2-(4-fluoranyl-2-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[(1R)-2-(4-fluoranyl-2-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[(1R)-2-(4-fluoro-2-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R)-2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-(4-fluoro-2-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C20H21FN2O6 MolecularWeight: 404.388943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C3=C(C=C(C=C3)F)[N+](=O)[O-])CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C3=C(C=C(C=C3)F)[N+](=O)[O-])CC(=O)OC)OC

InChI

InChI=1S/C20H21FN2O6/c1-27-18-8-12-6-7-22(15-5-4-13(21)9-17(15)23(25)26)16(11-20(24)29-3)14(12)10-19(18)28-2/h4-5,8-10,16H,6-7,11H2,1-3H3/t16-/m1/s1