1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; ethanedioic acid

Systemtic Name: 1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; ethanedioic acid Openeye Name: 1-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]-2-(3-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(5-bromo-2-methoxy-benzyl)piperazino]-2-(3-methylphenoxy)ethanone; oxalic acid Formula: C23H27BrN2O7 MolecularWeight: 523.37368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)Br)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=C(C=CC(=C3)Br)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25BrN2O3.C2H2O4/c1-16-4-3-5-19(12-16)27-15-21(25)24-10-8-23(9-11-24)14-17-13-18(22)6-7-20(17)26-2;3-1(4)2(5)6/h3-7,12-13H,8-11,14-15H2,1-2H3;(H,3,4)(H,5,6)