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

Systemtic Name: 1-[(2,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]isonipecotic acid Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCC(CC4)C(=O)O)OC

InChI

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