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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[methyl-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]amino]-2-propan-2-yl-pentanenitrile Openeye Name: 5-[[3-(2-allylphenoxy)-2-hydroxy-propyl]-methyl-amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-methylamino]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-methylamino]-2-propan-2-ylpentanenitrile Traditional Name: 5-[[3-(2-allylphenoxy)-2-hydroxy-propyl]-methyl-amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C29H40N2O4 MolecularWeight: 480.6389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN(C)CC(COC1=CC=CC=C1CC=C)O)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C(CCCN(C)CC(COC1=CC=CC=C1CC=C)O)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C29H40N2O4/c1-7-11-23-12-8-9-13-26(23)35-20-25(32)19-31(4)17-10-16-29(21-30,22(2)3)24-14-15-27(33-5)28(18-24)34-6/h7-9,12-15,18,22,25,32H,1,10-11,16-17,19-20H2,2-6H3