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

Systemtic Name: ethyl 2-[(1S)-1-(2-azanyl-5-methyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanoate Openeye Name: ethyl 2-[(1S)-1-(2-amino-5-methyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetate CAS Name: 2-[(1S)-1-(2-amino-5-methylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(2-amino-5-methylphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetate Traditional Name: 2-[(1S)-1-(2-amino-5-methyl-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid ethyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-5-28-21(25)13-24-9-8-15-11-19(26-3)20(27-4)12-16(15)22(24)17-10-14(2)6-7-18(17)23/h6-7,10-12,22H,5,8-9,13,23H2,1-4H3/t22-/m0/s1