1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone; ethanedioic acid

Systemtic Name: 1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone; ethanedioic acid Openeye Name: 1-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone; oxalic acid Traditional Name: 1-[4-(5-bromo-2-methoxy-benzyl)piperazino]-2-(2-naphthoxy)ethanone; oxalic acid Formula: C26H27BrN2O7 MolecularWeight: 559.40578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H25BrN2O3.C2H2O4/c1-29-23-9-7-21(25)14-20(23)16-26-10-12-27(13-11-26)24(28)17-30-22-8-6-18-4-2-3-5-19(18)15-22;3-1(4)2(5)6/h2-9,14-15H,10-13,16-17H2,1H3;(H,3,4)(H,5,6)