4-[(2R)-1-[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[(2R)-1-[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[(1R)-2-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[(2R)-1-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[(2R)-1-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[(1R)-2-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-1-methyl-ethoxy]benzonitrile Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(C2=C(C=CC(=C2C1)OC)OC)O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)N1C[C@@H](C2=C(C=CC(=C2C1)OC)OC)O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N2O5/c1-13(28-15-6-4-14(10-22)5-7-15)21(25)23-11-16-18(26-2)8-9-19(27-3)20(16)17(24)12-23/h4-9,13,17,24H,11-12H2,1-3H3/t13-,17+/m1/s1