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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6/c1-3-28-20-11-15(6-8-18(20)27-2)22(24-10-4-5-17(13-24)23(25)26)16-7-9-19-21(12-16)30-14-29-19/h6-9,11-12,17,22H,3-5,10,13-14H2,1-2H3,(H,25,26)