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1-[(2,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

1-[(2,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name:1-[(2,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
Openeye Name:1-[(3-benzyloxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CAS Name:1-[(2,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[(2,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
Traditional Name:1-[(3-benzoxyphenyl)-(2,5-dimethoxyphenyl)methyl]nipecotic acid
Formula: C28H31NO5
MolecularWeight: 461.54944
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O


Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O


InChI

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


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