6-[2-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]ethanoyl]-2,3-dimethoxy-benzoic acid

Systemtic Name: 6-[2-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]ethanoyl]-2,3-dimethoxy-benzoic acid Openeye Name: 6-[2-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-benzoic acid CAS Name: 6-[2-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-1-oxoethyl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-[2-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid Traditional Name: 6-[2-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-benzoic acid Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC2=C(C=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OCO2

Isomeric SMILES

CN(C)CCC1=CC2=C(C=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OCO2

InChI

InChI=1S/C22H25NO7/c1-23(2)8-7-13-10-18-19(30-12-29-18)11-14(13)9-16(24)15-5-6-17(27-3)21(28-4)20(15)22(25)26/h5-6,10-11H,7-9,12H2,1-4H3,(H,25,26)