1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]isonipecotic acid Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCC(CC4)C(=O)O)OCC

InChI

InChI=1S/C24H29NO6/c1-3-28-19-7-5-17(13-21(19)29-4-2)23(25-11-9-16(10-12-25)24(26)27)18-6-8-20-22(14-18)31-15-30-20/h5-8,13-14,16,23H,3-4,9-12,15H2,1-2H3,(H,26,27)