1-[(3,4-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-benzyloxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-benzoxyphenyl)-(3,4-dimethoxyphenyl)methyl]nipecotic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O)OC

InChI

InChI=1S/C28H31NO5/c1-32-25-15-14-21(17-26(25)33-2)27(29-16-8-11-22(18-29)28(30)31)23-12-6-7-13-24(23)34-19-20-9-4-3-5-10-20/h3-7,9-10,12-15,17,22,27H,8,11,16,18-19H2,1-2H3,(H,30,31)