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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-benzyloxy-3,5-dimethoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-benzoxy-3,5-dimethoxy-phenyl)methyl]nipecotic 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)N5CCCC(C5)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC4=C(C=C3)OCO4)N5CCCC(C5)C(=O)O

InChI

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