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

Systemtic Name: 4-bromanyl-2-[[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 4-bromo-2-[[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 4-bromo-2-[[4-[(4-ethylphenyl)methyl]-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 4-bromo-2-[[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 4-bromo-2-[[4-(4-ethylbenzyl)piperazino]methyl]phenol; oxalic acid Formula: C22H27BrN2O5 MolecularWeight: 479.36418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)CC3=C(C=CC(=C3)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25BrN2O.C2H2O4/c1-2-16-3-5-17(6-4-16)14-22-9-11-23(12-10-22)15-18-13-19(21)7-8-20(18)24;3-1(4)2(5)6/h3-8,13,24H,2,9-12,14-15H2,1H3;(H,3,4)(H,5,6)