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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,3-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,3-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,3-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,3-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]nipecotic acid Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C27H29NO5/c1-31-24-15-7-14-23(26(24)32-2)25(28-16-8-10-20(18-28)27(29)30)19-9-6-13-22(17-19)33-21-11-4-3-5-12-21/h3-7,9,11-15,17,20,25H,8,10,16,18H2,1-2H3,(H,29,30)