ethanedioic acid; 1-methyl-3-[(3-phenoxyphenoxy)methyl]-4-phenyl-piperidine

Systemtic Name: ethanedioic acid; 1-methyl-3-[(3-phenoxyphenoxy)methyl]-4-phenyl-piperidine Openeye Name: 1-methyl-3-[(3-phenoxyphenoxy)methyl]-4-phenyl-piperidine; oxalic acid CAS Name: 1-methyl-3-[(3-phenoxyphenoxy)methyl]-4-phenylpiperidine; oxalic acid IUPAC Name: 1-methyl-3-[(3-phenoxyphenoxy)methyl]-4-phenylpiperidine; oxalic acid Traditional Name: 1-methyl-3-[(3-phenoxyphenoxy)methyl]-4-phenyl-piperidine; oxalic acid Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)COC2=CC=CC(=C2)OC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(C(C1)COC2=CC=CC(=C2)OC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H27NO2.C2H2O4/c1-26-16-15-25(20-9-4-2-5-10-20)21(18-26)19-27-23-13-8-14-24(17-23)28-22-11-6-3-7-12-22;3-1(4)2(5)6/h2-14,17,21,25H,15-16,18-19H2,1H3;(H,3,4)(H,5,6)