1-[3-(4-bromanyl-2-methyl-phenoxy)propyl]-3,5-dimethyl-piperidine; ethanedioic acid

Systemtic Name: 1-[3-(4-bromanyl-2-methyl-phenoxy)propyl]-3,5-dimethyl-piperidine; ethanedioic acid Openeye Name: 1-[3-(4-bromo-2-methyl-phenoxy)propyl]-3,5-dimethyl-piperidine; oxalic acid CAS Name: 1-[3-(4-bromo-2-methylphenoxy)propyl]-3,5-dimethylpiperidine; oxalic acid IUPAC Name: 1-[3-(4-bromo-2-methylphenoxy)propyl]-3,5-dimethylpiperidine; oxalic acid Traditional Name: 1-[3-(4-bromo-2-methyl-phenoxy)propyl]-3,5-dimethyl-piperidine; oxalic acid Formula: C19H28BrNO5 MolecularWeight: 430.33332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCCOC2=C(C=C(C=C2)Br)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CC(CN(C1)CCCOC2=C(C=C(C=C2)Br)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26BrNO.C2H2O4/c1-13-9-14(2)12-19(11-13)7-4-8-20-17-6-5-16(18)10-15(17)3;3-1(4)2(5)6/h5-6,10,13-14H,4,7-9,11-12H2,1-3H3;(H,3,4)(H,5,6)