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

Systemtic Name: 2-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-4-methyl-pentan-3-yl]oxy-3-methoxy-phenyl]ethanenitrile Openeye Name: 2-[4-[1-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethyl]-2-methyl-propoxy]-3-methoxy-phenyl]acetonitrile CAS Name: 2-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-4-methylpentan-3-yl]oxy-3-methoxyphenyl]acetonitrile IUPAC Name: 2-[4-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-4-methylpentan-3-yl]oxy-3-methoxyphenyl]acetonitrile Traditional Name: 2-[4-[1-[2-[homoveratryl(methyl)amino]ethyl]-2-methyl-propoxy]-3-methoxy-phenyl]acetonitrile Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4/c1-19(2)22(32-24-10-8-20(11-14-27)17-26(24)31-6)13-16-28(3)15-12-21-7-9-23(29-4)25(18-21)30-5/h7-10,17-19,22H,11-13,15-16H2,1-6H3