3-chloranyl-4-[4-(3,4-dimethoxyphenyl)-2-(methylaminomethyl)-2-oxidanyl-butoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[4-(3,4-dimethoxyphenyl)-2-(methylaminomethyl)-2-oxidanyl-butoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[4-(3,4-dimethoxyphenyl)-2-hydroxy-2-(methylaminomethyl)butoxy]benzonitrile CAS Name: 3-chloro-4-[4-(3,4-dimethoxyphenyl)-2-hydroxy-2-(methylaminomethyl)butoxy]benzonitrile IUPAC Name: 3-chloro-4-[4-(3,4-dimethoxyphenyl)-2-hydroxy-2-(methylaminomethyl)butoxy]benzonitrile Traditional Name: 3-chloro-4-[4-(3,4-dimethoxyphenyl)-2-hydroxy-2-(methylaminomethyl)butoxy]benzonitrile Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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