1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone; ethanedioic acid

Systemtic Name: 1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone; ethanedioic acid Openeye Name: 1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 1-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone; oxalic acid Traditional Name: 1-[4-(3-bromobenzyl)piperazino]-2-(2-naphthoxy)ethanone; oxalic acid Formula: C25H25BrN2O6 MolecularWeight: 529.3798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H23BrN2O2.C2H2O4/c24-21-7-3-4-18(14-21)16-25-10-12-26(13-11-25)23(27)17-28-22-9-8-19-5-1-2-6-20(19)15-22;3-1(4)2(5)6/h1-9,14-15H,10-13,16-17H2;(H,3,4)(H,5,6)