6-(1,3-benzodioxol-2-yl)-6-cyano-2-[(3,4-dimethoxyphenyl)methyl]octanoic acid

Systemtic Name: 6-(1,3-benzodioxol-2-yl)-6-cyano-2-[(3,4-dimethoxyphenyl)methyl]octanoic acid Openeye Name: 6-(1,3-benzodioxol-2-yl)-6-cyano-2-[(3,4-dimethoxyphenyl)methyl]octanoic acid CAS Name: 6-(1,3-benzodioxol-2-yl)-6-cyano-2-[(3,4-dimethoxyphenyl)methyl]octanoic acid IUPAC Name: 6-(1,3-benzodioxol-2-yl)-6-cyano-2-[(3,4-dimethoxyphenyl)methyl]octanoic acid Traditional Name: 6-(1,3-benzodioxol-2-yl)-6-cyano-2-veratryl-caprylic acid Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(CC1=CC(=C(C=C1)OC)OC)C(=O)O)(C#N)C2OC3=CC=CC=C3O2

Isomeric SMILES

CCC(CCCC(CC1=CC(=C(C=C1)OC)OC)C(=O)O)(C#N)C2OC3=CC=CC=C3O2

InChI

InChI=1S/C25H29NO6/c1-4-25(16-26,24-31-20-9-5-6-10-21(20)32-24)13-7-8-18(23(27)28)14-17-11-12-19(29-2)22(15-17)30-3/h5-6,9-12,15,18,24H,4,7-8,13-14H2,1-3H3,(H,27,28)