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

Systemtic Name: ethanedioic acid; 1-[4-(2-methoxyphenoxy)but-2-ynyl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazine; oxalic acid CAS Name: 1-[4-(2-methoxyphenoxy)but-2-ynyl]-4-(phenylmethyl)piperazine; oxalic acid IUPAC Name: 1-benzyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-[4-(2-methoxyphenoxy)but-2-ynyl]piperazine; oxalic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC#CCN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1OCC#CCN2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N2O2.C2H2O4/c1-25-21-11-5-6-12-22(21)26-18-8-7-13-23-14-16-24(17-15-23)19-20-9-3-2-4-10-20;3-1(4)2(5)6/h2-6,9-12H,13-19H2,1H3;(H,3,4)(H,5,6)