[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone; ethanedioic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=C(C=C3)OC)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23BrN2O3.C2H2O4/c1-25-17-6-4-16(5-7-17)20(24)23-11-9-22(10-12-23)14-15-3-8-19(26-2)18(21)13-15;3-1(4)2(5)6/h3-8,13H,9-12,14H2,1-2H3;(H,3,4)(H,5,6)