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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-benzyloxy-3,5-dimethoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-benzoxy-3,5-dimethoxy-phenyl)methyl]isonipecotic acid Formula: C29H31NO7 MolecularWeight: 505.55894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=C(C=C3)OCO4)N5CCC(CC5)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=C(C=C3)OCO4)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C29H31NO7/c1-33-25-15-22(16-26(34-2)28(25)35-17-19-6-4-3-5-7-19)27(30-12-10-20(11-13-30)29(31)32)21-8-9-23-24(14-21)37-18-36-23/h3-9,14-16,20,27H,10-13,17-18H2,1-2H3,(H,31,32)