1-[(3-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-(3-phenoxyphenyl)methyl]isonipecotic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4/c1-30-23-11-5-7-20(17-23)25(27-15-13-19(14-16-27)26(28)29)21-8-6-12-24(18-21)31-22-9-3-2-4-10-22/h2-12,17-19,25H,13-16H2,1H3,(H,28,29)