2-chloranyl-6-[3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[3-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-chloro-6-[2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile CAS Name: 2-chloro-6-[2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile IUPAC Name: 2-chloro-6-[2-hydroxy-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile Traditional Name: 2-chloro-6-[2-hydroxy-3-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)OC)NCC(COC2=C(C(=CC=C2)Cl)C#N)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)OC)NCC(COC2=C(C(=CC=C2)Cl)C#N)O

InChI

InChI=1S/C21H25ClN2O3/c1-21(2,11-15-7-9-17(26-3)10-8-15)24-13-16(25)14-27-20-6-4-5-19(22)18(20)12-23/h4-10,16,24-25H,11,13-14H2,1-3H3