1-[1,3-benzodioxol-5-yl-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(4-ethoxy-3-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-ethoxy-3-methoxy-phenyl)methyl]pipecolinic acid Formula: C23H27NO6 MolecularWeight: 413.46358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O)OC

InChI

InChI=1S/C23H27NO6/c1-3-28-18-9-7-15(12-20(18)27-2)22(24-11-5-4-6-17(24)23(25)26)16-8-10-19-21(13-16)30-14-29-19/h7-10,12-13,17,22H,3-6,11,14H2,1-2H3,(H,25,26)