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

Systemtic Name: 2-[4-[5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-methyl-heptan-4-yl]oxy-3-methoxy-phenyl]ethanenitrile Openeye Name: 2-[4-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-1-isobutyl-butoxy]-3-methoxy-phenyl]acetonitrile CAS Name: 2-[4-[5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methylheptan-4-yl]oxy-3-methoxyphenyl]acetonitrile IUPAC Name: 2-[4-[5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methylheptan-4-yl]oxy-3-methoxyphenyl]acetonitrile Traditional Name: 2-[4-[2-[homoveratryl(methyl)amino]-1-isobutyl-butoxy]-3-methoxy-phenyl]acetonitrile Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(C)C)OC1=C(C=C(C=C1)CC#N)OC)N(C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC(C(CC(C)C)OC1=C(C=C(C=C1)CC#N)OC)N(C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C28H40N2O4/c1-8-23(30(4)16-14-22-9-11-24(31-5)27(19-22)32-6)26(17-20(2)3)34-25-12-10-21(13-15-29)18-28(25)33-7/h9-12,18-20,23,26H,8,13-14,16-17H2,1-7H3