4-bromanyl-2-[[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-[(2,3-dimethoxyphenyl)methyl]-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[(4-o-veratrylpiperazino)methyl]phenol; oxalic acid Formula: C22H27BrN2O7 MolecularWeight: 511.36298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25BrN2O3.C2H2O4/c1-25-19-5-3-4-15(20(19)26-2)13-22-8-10-23(11-9-22)14-16-12-17(21)6-7-18(16)24;3-1(4)2(5)6/h3-7,12,24H,8-11,13-14H2,1-2H3;(H,3,4)(H,5,6)