6-azanyl-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-heptanenitrile

Systemtic Name: 6-azanyl-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-heptanenitrile Openeye Name: 6-amino-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-heptanenitrile CAS Name: 6-amino-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methylheptanenitrile IUPAC Name: 6-amino-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methylheptanenitrile Traditional Name: 6-amino-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-enanthonitrile Formula: C28H40N2O6 MolecularWeight: 500.627

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)C(C)(CCCC(CC2=CC(=C(C=C2)OC)OC)N)C#N)OCC)OC)OC

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)C(C)(CCCC(CC2=CC(=C(C=C2)OC)OC)N)C#N)OCC)OC)OC

InChI

InChI=1S/C28H40N2O6/c1-8-35-24-17-21(25(36-9-2)27(34-7)26(24)33-6)28(3,18-29)14-10-11-20(30)15-19-12-13-22(31-4)23(16-19)32-5/h12-13,16-17,20H,8-11,14-15,30H2,1-7H3