6-azanyl-7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-2-methyl-heptanenitrile

Systemtic Name: 6-azanyl-7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-2-methyl-heptanenitrile Openeye Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-2-methyl-heptanenitrile CAS Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-2-methylheptanenitrile IUPAC Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxyphenyl)-2-methylheptanenitrile Traditional Name: 6-amino-7-(1,3-benzodioxol-2-yl)-2-(2,5-diethoxy-3,4-dimethoxy-phenyl)-2-methyl-enanthonitrile Formula: C27H36N2O6 MolecularWeight: 484.58454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)C(C)(CCCC(CC2OC3=CC=CC=C3O2)N)C#N)OCC)OC)OC

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)C(C)(CCCC(CC2OC3=CC=CC=C3O2)N)C#N)OCC)OC)OC

InChI

InChI=1S/C27H36N2O6/c1-6-32-22-16-19(24(33-7-2)26(31-5)25(22)30-4)27(3,17-28)14-10-11-18(29)15-23-34-20-12-8-9-13-21(20)35-23/h8-9,12-13,16,18,23H,6-7,10-11,14-15,29H2,1-5H3