4-bromanyl-2-[[4-[phenethyl-(phenylmethyl)amino]piperidin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 4-bromanyl-2-[[4-[phenethyl-(phenylmethyl)amino]piperidin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 2-[[4-[benzyl(phenethyl)amino]-1-piperidyl]methyl]-4-bromo-phenol; oxalic acid CAS Name: 4-bromo-2-[[4-[phenethyl-(phenylmethyl)amino]-1-piperidinyl]methyl]phenol; oxalic acid IUPAC Name: 2-[[4-[benzyl(phenethyl)amino]piperidin-1-yl]methyl]-4-bromophenol; oxalic acid Traditional Name: 2-[[4-[benzyl(phenethyl)amino]piperidino]methyl]-4-bromo-phenol; oxalic acid Formula: C29H33BrN2O5 MolecularWeight: 569.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=C(C=CC(=C4)Br)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=C(C=CC(=C4)Br)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H31BrN2O.C2H2O4/c28-25-11-12-27(31)24(19-25)21-29-16-14-26(15-17-29)30(20-23-9-5-2-6-10-23)18-13-22-7-3-1-4-8-22;3-1(4)2(5)6/h1-12,19,26,31H,13-18,20-21H2;(H,3,4)(H,5,6)