3-ethylpentan-3-yl 2-[(1S)-6,7-dimethoxy-2-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: 3-ethylpentan-3-yl 2-[(1S)-6,7-dimethoxy-2-oxidanyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: 1,1-diethylpropyl 2-[(1S)-2-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid 3-ethylpentan-3-yl ester IUPAC Name: 3-ethylpentan-3-yl 2-[(1S)-2-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-hydroxy-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid 1,1-diethylpropyl ester Formula: C20H31NO5 MolecularWeight: 365.46384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC)OC(=O)CC1C2=CC(=C(C=C2CCN1O)OC)OC

Isomeric SMILES

CCC(CC)(CC)OC(=O)C[C@H]1C2=CC(=C(C=C2CCN1O)OC)OC

InChI

InChI=1S/C20H31NO5/c1-6-20(7-2,8-3)26-19(22)13-16-15-12-18(25-5)17(24-4)11-14(15)9-10-21(16)23/h11-12,16,23H,6-10,13H2,1-5H3/t16-/m0/s1