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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3-ethoxy-4-methoxy-phenyl)methyl]isonipecotic acid Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6/c1-3-28-20-12-16(4-6-18(20)27-2)22(24-10-8-15(9-11-24)23(25)26)17-5-7-19-21(13-17)30-14-29-19/h4-7,12-13,15,22H,3,8-11,14H2,1-2H3,(H,25,26)