1-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; ethanedioic acid

Systemtic Name: 1-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; ethanedioic acid Openeye Name: 1-[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-phenoxy-ethanone; oxalic acid CAS Name: 1-[4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazinyl]-2-phenoxyethanone; oxalic acid IUPAC Name: 1-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone; oxalic acid Traditional Name: 1-[4-(3-bromo-4-methoxy-benzyl)piperazino]-2-phenoxy-ethanone; oxalic acid Formula: C22H25BrN2O7 MolecularWeight: 509.3471

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=CC=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=CC=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23BrN2O3.C2H2O4/c1-25-19-8-7-16(13-18(19)21)14-22-9-11-23(12-10-22)20(24)15-26-17-5-3-2-4-6-17;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)