6-cyano-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(3,4-dimethoxyphenyl)methyl]-7-methyl-nonanoic acid

Systemtic Name: 6-cyano-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(3,4-dimethoxyphenyl)methyl]-7-methyl-nonanoic acid Openeye Name: 6-cyano-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(3,4-dimethoxyphenyl)methyl]-7-methyl-nonanoic acid CAS Name: 6-cyano-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(3,4-dimethoxyphenyl)methyl]-7-methylnonanoic acid IUPAC Name: 6-cyano-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(3,4-dimethoxyphenyl)methyl]-7-methylnonanoic acid Traditional Name: 6-cyano-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-methyl-2-veratryl-pelargonic acid Formula: C28H35NO6 MolecularWeight: 481.5806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO6/c1-5-19(2)28(18-29,26-17-34-23-10-6-7-11-24(23)35-26)14-8-9-21(27(30)31)15-20-12-13-22(32-3)25(16-20)33-4/h6-7,10-13,16,19,21,26H,5,8-9,14-15,17H2,1-4H3,(H,30,31)