3-chloranyl-4-[3-[4-(3,4-dimethoxyphenyl)butylamino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[3-[4-(3,4-dimethoxyphenyl)butylamino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[3-[4-(3,4-dimethoxyphenyl)butylamino]-2-hydroxy-propoxy]benzonitrile CAS Name: 3-chloro-4-[3-[4-(3,4-dimethoxyphenyl)butylamino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 3-chloro-4-[3-[4-(3,4-dimethoxyphenyl)butylamino]-2-hydroxypropoxy]benzonitrile Traditional Name: 3-chloro-4-[3-[4-(3,4-dimethoxyphenyl)butylamino]-2-hydroxy-propoxy]benzonitrile Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCCNCC(COC2=C(C=C(C=C2)C#N)Cl)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCCNCC(COC2=C(C=C(C=C2)C#N)Cl)O)OC

InChI

InChI=1S/C22H27ClN2O4/c1-27-21-9-6-16(12-22(21)28-2)5-3-4-10-25-14-18(26)15-29-20-8-7-17(13-24)11-19(20)23/h6-9,11-12,18,25-26H,3-5,10,14-15H2,1-2H3