6-azanyl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-2-(3,4,5-trimethoxyphenyl)heptanenitrile

Systemtic Name: 6-azanyl-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Openeye Name: 6-amino-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-2-(3,4,5-trimethoxyphenyl)heptanenitrile CAS Name: 6-amino-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-2-(3,4,5-trimethoxyphenyl)heptanenitrile IUPAC Name: 6-amino-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-2-(3,4,5-trimethoxyphenyl)heptanenitrile Traditional Name: 6-amino-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-ethyl-2-(3,4,5-trimethoxyphenyl)enanthonitrile Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(CC1COC2=CC=CC=C2O1)N)(C#N)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCC(CCCC(CC1COC2=CC=CC=C2O1)N)(C#N)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C26H34N2O5/c1-5-26(17-27,18-13-23(29-2)25(31-4)24(14-18)30-3)12-8-9-19(28)15-20-16-32-21-10-6-7-11-22(21)33-20/h6-7,10-11,13-14,19-20H,5,8-9,12,15-16,28H2,1-4H3