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

Systemtic Name: 1-(4-cyclohexylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone; ethanedioic acid Openeye Name: 1-(4-cyclohexylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone; oxalic acid CAS Name: 1-(4-cyclohexyl-1-piperazinyl)-2-(3-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-(4-cyclohexylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-(4-cyclohexylpiperazino)-2-(3-methylphenoxy)ethanone; oxalic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O2.C2H2O4/c1-16-6-5-9-18(14-16)23-15-19(22)21-12-10-20(11-13-21)17-7-3-2-4-8-17;3-1(4)2(5)6/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3;(H,3,4)(H,5,6)