ethyl 2-[(1S)-1-(2-azanyl-5-chloranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate

Systemtic Name: ethyl 2-[(1S)-1-(2-azanyl-5-chloranyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: ethyl 2-[(1S)-1-(2-amino-5-chloro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[(1S)-1-(2-amino-5-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(2-amino-5-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[(1S)-1-(2-amino-5-chloro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCC2=CC(=C(C=C2C1C3=C(C=CC(=C3)Cl)N)OC)OC

Isomeric SMILES

CCOC(=O)CN1CCC2=CC(=C(C=C2[C@H]1C3=C(C=CC(=C3)Cl)N)OC)OC

InChI

InChI=1S/C21H25ClN2O4/c1-4-28-20(25)12-24-8-7-13-9-18(26-2)19(27-3)11-15(13)21(24)16-10-14(22)5-6-17(16)23/h5-6,9-11,21H,4,7-8,12,23H2,1-3H3/t21-/m0/s1