3-chloranyl-4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-hydroxy-propoxy]benzonitrile CAS Name: 3-chloro-4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 3-chloro-4-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile Traditional Name: 3-chloro-4-[3-[homoveratryl(methyl)amino]-2-hydroxy-propoxy]benzonitrile Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC(COC2=C(C=C(C=C2)C#N)Cl)O

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CC(COC2=C(C=C(C=C2)C#N)Cl)O

InChI

InChI=1S/C21H25ClN2O4/c1-24(9-8-15-4-7-20(26-2)21(11-15)27-3)13-17(25)14-28-19-6-5-16(12-23)10-18(19)22/h4-7,10-11,17,25H,8-9,13-14H2,1-3H3