1-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 1-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 1-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 1-[4-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 1-[4-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 1-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazino]ethanone; oxalic acid Formula: C22H34N2O7 MolecularWeight: 438.51456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCN(CC2)C(=O)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCN(CC2)C(=O)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H32N2O3.C2H2O4/c1-15-12-17(20(3,4)5)6-7-19(15)25-14-18(24)13-21-8-10-22(11-9-21)16(2)23;3-1(4)2(5)6/h6-7,12,18,24H,8-11,13-14H2,1-5H3;(H,3,4)(H,5,6)