2-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-5-methyl-hexan-3-yl]oxy-3-methoxy-phenyl]ethanenitrile

Systemtic Name: 2-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-5-methyl-hexan-3-yl]oxy-3-methoxy-phenyl]ethanenitrile Openeye Name: 2-[4-[1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethyl]-3-methyl-butoxy]-3-methoxy-phenyl]acetonitrile CAS Name: 2-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-5-methylhexan-3-yl]oxy-3-methoxyphenyl]acetonitrile IUPAC Name: 2-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-5-methylhexan-3-yl]oxy-3-methoxyphenyl]acetonitrile Traditional Name: 2-[4-[1-[2-[homoveratryl(methyl)amino]ethyl]-3-methyl-butoxy]-3-methoxy-phenyl]acetonitrile Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CCN(C)CCC1=CC(=C(C=C1)OC)OC)OC2=C(C=C(C=C2)CC#N)OC

Isomeric SMILES

CC(C)CC(CCN(C)CCC1=CC(=C(C=C1)OC)OC)OC2=C(C=C(C=C2)CC#N)OC

InChI

InChI=1S/C27H38N2O4/c1-20(2)17-23(33-25-10-8-21(11-14-28)18-27(25)32-6)13-16-29(3)15-12-22-7-9-24(30-4)26(19-22)31-5/h7-10,18-20,23H,11-13,15-17H2,1-6H3