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

Systemtic Name: 2-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]iminomethyl]benzoic acid Openeye Name: 2-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]iminomethyl]benzoic acid CAS Name: 2-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]iminomethyl]benzoic acid IUPAC Name: 2-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]iminomethyl]benzoic acid Traditional Name: 2-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]iminomethyl]benzoic acid Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC2=C(C=C1N=CC3=CC=CC=C3C(=O)O)OCO2

Isomeric SMILES

CN(C)CCC1=CC2=C(C=C1N=CC3=CC=CC=C3C(=O)O)OCO2

InChI

InChI=1S/C19H20N2O4/c1-21(2)8-7-13-9-17-18(25-12-24-17)10-16(13)20-11-14-5-3-4-6-15(14)19(22)23/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,23)