ethanedioic acid; 1-[4-(2-methoxyphenoxy)but-2-ynyl]-4-(phenylmethyl)piperidine

Systemtic Name: ethanedioic acid; 1-[4-(2-methoxyphenoxy)but-2-ynyl]-4-(phenylmethyl)piperidine Openeye Name: 4-benzyl-1-[4-(2-methoxyphenoxy)but-2-ynyl]piperidine; oxalic acid CAS Name: 1-[4-(2-methoxyphenoxy)but-2-ynyl]-4-(phenylmethyl)piperidine; oxalic acid IUPAC Name: 4-benzyl-1-[4-(2-methoxyphenoxy)but-2-ynyl]piperidine; oxalic acid Traditional Name: 4-benzyl-1-[4-(2-methoxyphenoxy)but-2-ynyl]piperidine; oxalic acid Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC#CCN2CCC(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1OCC#CCN2CCC(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H27NO2.C2H2O4/c1-25-22-11-5-6-12-23(22)26-18-8-7-15-24-16-13-21(14-17-24)19-20-9-3-2-4-10-20;3-1(4)2(5)6/h2-6,9-12,21H,13-19H2,1H3;(H,3,4)(H,5,6)