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

Systemtic Name: ethanedioic acid; 1-pentyl-3-[(3-phenoxyphenoxy)methyl]-4-phenyl-piperidine Openeye Name: oxalic acid; 1-pentyl-3-[(3-phenoxyphenoxy)methyl]-4-phenyl-piperidine CAS Name: oxalic acid; 1-pentyl-3-[(3-phenoxyphenoxy)methyl]-4-phenylpiperidine IUPAC Name: oxalic acid; 1-pentyl-3-[(3-phenoxyphenoxy)methyl]-4-phenylpiperidine Traditional Name: 1-amyl-3-[(3-phenoxyphenoxy)methyl]-4-phenyl-piperidine; oxalic acid Formula: C31H37NO6 MolecularWeight: 519.62858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(C(C1)COC2=CC=CC(=C2)OC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCN1CCC(C(C1)COC2=CC=CC(=C2)OC3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H35NO2.C2H2O4/c1-2-3-10-19-30-20-18-29(24-12-6-4-7-13-24)25(22-30)23-31-27-16-11-17-28(21-27)32-26-14-8-5-9-15-26;3-1(4)2(5)6/h4-9,11-17,21,25,29H,2-3,10,18-20,22-23H2,1H3;(H,3,4)(H,5,6)