N-[6-cyano-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(3,4-dimethoxyphenyl)heptan-2-yl]methanamide

Systemtic Name: N-[6-cyano-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(3,4-dimethoxyphenyl)heptan-2-yl]methanamide Openeye Name: N-[5-cyano-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-[(3,4-dimethoxyphenyl)methyl]hexyl]formamide CAS Name: N-[6-cyano-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(3,4-dimethoxyphenyl)heptan-2-yl]formamide IUPAC Name: N-[6-cyano-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(3,4-dimethoxyphenyl)heptan-2-yl]formamide Traditional Name: N-[5-cyano-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-veratryl-hexyl]formamide Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(CC1=CC(=C(C=C1)OC)OC)NC=O)(C#N)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC(CCCC(CC1=CC(=C(C=C1)OC)OC)NC=O)(C#N)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C25H30N2O5/c1-25(16-26,24-15-31-21-8-4-5-9-22(21)32-24)12-6-7-19(27-17-28)13-18-10-11-20(29-2)23(14-18)30-3/h4-5,8-11,14,17,19,24H,6-7,12-13,15H2,1-3H3,(H,27,28)