1-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]-3-methyl-piperidine; ethanedioic acid

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]-3-methyl-piperidine; ethanedioic acid Openeye Name: 1-[2-(4-bromo-2-methyl-phenoxy)ethyl]-3-methyl-piperidine; oxalic acid CAS Name: 1-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methylpiperidine; oxalic acid IUPAC Name: 1-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methylpiperidine; oxalic acid Traditional Name: 1-[2-(4-bromo-2-methyl-phenoxy)ethyl]-3-methyl-piperidine; oxalic acid Formula: C17H24BrNO5 MolecularWeight: 402.28016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCOC2=C(C=C(C=C2)Br)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCN(C1)CCOC2=C(C=C(C=C2)Br)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22BrNO.C2H2O4/c1-12-4-3-7-17(11-12)8-9-18-15-6-5-14(16)10-13(15)2;3-1(4)2(5)6/h5-6,10,12H,3-4,7-9,11H2,1-2H3;(H,3,4)(H,5,6)