1-(3-bromanylphenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(3-bromanylphenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol; ethanedioic acid Openeye Name: 1-(3-bromophenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol; oxalic acid CAS Name: 1-(3-bromophenoxy)-3-[4-(2-ethoxyphenyl)-1-piperazinyl]-2-propanol; oxalic acid IUPAC Name: 1-(3-bromophenoxy)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-2-ol; oxalic acid Traditional Name: 1-(3-bromophenoxy)-3-(4-o-phenetylpiperazino)propan-2-ol; oxalic acid Formula: C23H29BrN2O7 MolecularWeight: 525.38956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC(=CC=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC(=CC=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27BrN2O3.C2H2O4/c1-2-26-21-9-4-3-8-20(21)24-12-10-23(11-13-24)15-18(25)16-27-19-7-5-6-17(22)14-19;3-1(4)2(5)6/h3-9,14,18,25H,2,10-13,15-16H2,1H3;(H,3,4)(H,5,6)