4-[(2R)-3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2R)-3-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2R)-3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2R)-3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidino]-2-hydroxy-propoxy]benzonitrile Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2CC(COC3=CC=C(C=C3)C#N)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCCN2C[C@H](COC3=CC=C(C=C3)C#N)O)OC

InChI

InChI=1S/C22H26N2O4/c1-26-19-9-10-20(22(12-19)27-2)21-4-3-11-24(21)14-17(25)15-28-18-7-5-16(13-23)6-8-18/h5-10,12,17,21,25H,3-4,11,14-15H2,1-2H3/t17-,21-/m1/s1