2-(4-bromanylphenoxy)-1-[4-(2-methylcyclohexyl)piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(2-methylcyclohexyl)piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-bromophenoxy)-1-[4-(2-methylcyclohexyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-[4-(2-methylcyclohexyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-[4-(2-methylcyclohexyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-bromophenoxy)-1-[4-(2-methylcyclohexyl)piperazino]ethanone; oxalic acid Formula: C21H29BrN2O6 MolecularWeight: 485.36876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCCC1N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27BrN2O2.C2H2O4/c1-15-4-2-3-5-18(15)21-10-12-22(13-11-21)19(23)14-24-17-8-6-16(20)7-9-17;3-1(4)2(5)6/h6-9,15,18H,2-5,10-14H2,1H3;(H,3,4)(H,5,6)