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

Systemtic Name: 1-[(2-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)-(3-phenoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-methoxyphenyl)-(3-phenoxyphenyl)methyl]nipecotic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

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