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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=C(C=CC(=C3)Br)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=C(C=CC(=C3)Br)O)OC.C(=O)(C(=O)O)O

InChI

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