[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone; ethanedioic acid

Systemtic Name: [4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone; ethanedioic acid Openeye Name: [4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone; oxalic acid CAS Name: [4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]-(3,5-dimethoxyphenyl)methanone; oxalic acid IUPAC Name: [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone; oxalic acid Traditional Name: [4-(5-bromo-2-methoxy-benzyl)piperazino]-(3,5-dimethoxyphenyl)methanone; oxalic acid Formula: C23H27BrN2O8 MolecularWeight: 539.37308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4.C2H2O4/c1-26-18-11-15(12-19(13-18)27-2)21(25)24-8-6-23(7-9-24)14-16-10-17(22)4-5-20(16)28-3;3-1(4)2(5)6/h4-5,10-13H,6-9,14H2,1-3H3;(H,3,4)(H,5,6)