1-[3-(2-tert-butyl-6-methyl-phenoxy)propyl]-4-methyl-piperazine; ethanedioic acid

Systemtic Name: 1-[3-(2-tert-butyl-6-methyl-phenoxy)propyl]-4-methyl-piperazine; ethanedioic acid Openeye Name: 1-[3-(2-tert-butyl-6-methyl-phenoxy)propyl]-4-methyl-piperazine; oxalic acid CAS Name: 1-[3-(2-tert-butyl-6-methylphenoxy)propyl]-4-methylpiperazine; oxalic acid IUPAC Name: 1-[3-(2-tert-butyl-6-methylphenoxy)propyl]-4-methylpiperazine; oxalic acid Traditional Name: 1-[3-(2-tert-butyl-6-methyl-phenoxy)propyl]-4-methyl-piperazine; oxalic acid Formula: C21H34N2O5 MolecularWeight: 394.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)OCCCN2CCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)OCCCN2CCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H32N2O.C2H2O4/c1-16-8-6-9-17(19(2,3)4)18(16)22-15-7-10-21-13-11-20(5)12-14-21;3-1(4)2(5)6/h6,8-9H,7,10-15H2,1-5H3;(H,3,4)(H,5,6)