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

Systemtic Name: 1-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone; ethanedioic acid Openeye Name: 1-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone; oxalic acid CAS Name: 1-(4-cyclohexyl-1-piperazinyl)-2-(4-methoxyphenoxy)ethanone; oxalic acid IUPAC Name: 1-(4-cyclohexylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone; oxalic acid Traditional Name: 1-(4-cyclohexylpiperazino)-2-(4-methoxyphenoxy)ethanone; oxalic acid Formula: C21H30N2O7 MolecularWeight: 422.4721

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O3.C2H2O4/c1-23-17-7-9-18(10-8-17)24-15-19(22)21-13-11-20(12-14-21)16-5-3-2-4-6-16;3-1(4)2(5)6/h7-10,16H,2-6,11-15H2,1H3;(H,3,4)(H,5,6)