5-[[3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-methyl-amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[[3-(2-chloranyl-5-methyl-phenoxy)-2-oxidanyl-propyl]-methyl-amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[[3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-methyl-amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-[[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-methylamino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]-methylamino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[[3-(2-chloro-5-methyl-phenoxy)-2-hydroxy-propyl]-methyl-amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C27H37ClN2O4 MolecularWeight: 489.04668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(CN(C)CCCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(CN(C)CCCC(C#N)(C2=CC(=C(C=C2)OC)OC)C(C)C)O

InChI

InChI=1S/C27H37ClN2O4/c1-19(2)27(18-29,21-9-11-24(32-5)26(15-21)33-6)12-7-13-30(4)16-22(31)17-34-25-14-20(3)8-10-23(25)28/h8-11,14-15,19,22,31H,7,12-13,16-17H2,1-6H3