ethanedioic acid; 1-(2-methoxyphenyl)-4-[4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl]piperazine

Systemtic Name: ethanedioic acid; 1-(2-methoxyphenyl)-4-[4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl]piperazine Openeye Name: 1-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]-4-(2-methoxyphenyl)piperazine; oxalic acid CAS Name: 1-(2-methoxyphenyl)-4-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]piperazine; oxalic acid IUPAC Name: 1-(2-methoxyphenyl)-4-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]piperazine; oxalic acid Traditional Name: 1-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]-4-(2-methoxyphenyl)piperazine; oxalic acid Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC#CCN2CCN(CC2)C3=CC=CC=C3OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC#CCN2CCN(CC2)C3=CC=CC=C3OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32N2O2.C2H2O4/c1-20(2)22-12-11-21(3)19-25(22)29-18-8-7-13-26-14-16-27(17-15-26)23-9-5-6-10-24(23)28-4;3-1(4)2(5)6/h5-6,9-12,19-20H,13-18H2,1-4H3;(H,3,4)(H,5,6)