4-[(2S)-3-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2S)-3-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2S)-3-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2S)-3-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2S)-3-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2S)-3-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxy-propoxy]benzonitrile Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC(COC3=CC=C(C=C3)C#N)O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C[C@@H](COC3=CC=C(C=C3)C#N)O)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N2O4/c1-31-25-14-21-12-13-29(17-22(30)18-33-23-10-8-19(16-28)9-11-23)27(20-6-4-3-5-7-20)24(21)15-26(25)32-2/h3-11,14-15,22,27,30H,12-13,17-18H2,1-2H3/t22-,27+/m0/s1