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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3,4-diethoxyphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O)OCC

InChI

InChI=1S/C24H29NO6/c1-3-28-19-9-7-16(12-21(19)29-4-2)23(25-11-5-6-18(14-25)24(26)27)17-8-10-20-22(13-17)31-15-30-20/h7-10,12-13,18,23H,3-6,11,14-15H2,1-2H3,(H,26,27)