1-(4-butan-2-ylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone; ethanedioic acid

Systemtic Name: 1-(4-butan-2-ylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone; ethanedioic acid Openeye Name: 2-(3-methylphenoxy)-1-(4-sec-butylpiperazin-1-yl)ethanone; oxalic acid CAS Name: 1-(4-butan-2-yl-1-piperazinyl)-2-(3-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-(4-butan-2-ylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone; oxalic acid Traditional Name: 2-(3-methylphenoxy)-1-(4-sec-butylpiperazino)ethanone; oxalic acid Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C(=O)COC2=CC=CC(=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)C(=O)COC2=CC=CC(=C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O2.C2H2O4/c1-4-15(3)18-8-10-19(11-9-18)17(20)13-21-16-7-5-6-14(2)12-16;3-1(4)2(5)6/h5-7,12,15H,4,8-11,13H2,1-3H3;(H,3,4)(H,5,6)