2-(4-bromanylphenoxy)-1-[4-(3-methylcyclohexyl)piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(3-methylcyclohexyl)piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-bromophenoxy)-1-[4-(3-methylcyclohexyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-[4-(3-methylcyclohexyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-[4-(3-methylcyclohexyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-bromophenoxy)-1-[4-(3-methylcyclohexyl)piperazino]ethanone; oxalic acid Formula: C21H29BrN2O6 MolecularWeight: 485.36876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27BrN2O2.C2H2O4/c1-15-3-2-4-17(13-15)21-9-11-22(12-10-21)19(23)14-24-18-7-5-16(20)6-8-18;3-1(4)2(5)6/h5-8,15,17H,2-4,9-14H2,1H3;(H,3,4)(H,5,6)