2-(4-bromanylphenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone; ethanedioic acid

Systemtic Name: 2-(4-bromanylphenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone; ethanedioic acid Openeye Name: 2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-(4-cyclopentyl-1-piperazinyl)ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-(4-cyclopentylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 2-(4-bromophenoxy)-1-(4-cyclopentylpiperazino)ethanone; oxalic acid Formula: C19H25BrN2O6 MolecularWeight: 457.3156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23BrN2O2.C2H2O4/c18-14-5-7-16(8-6-14)22-13-17(21)20-11-9-19(10-12-20)15-3-1-2-4-15;3-1(4)2(5)6/h5-8,15H,1-4,9-13H2;(H,3,4)(H,5,6)