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

Systemtic Name: 1-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-methyl-propan-1-one; ethanedioic acid Openeye Name: 1-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazin-1-yl]-2-methyl-propan-1-one; oxalic acid CAS Name: 1-[4-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1-piperazinyl]-2-methyl-1-propanone; oxalic acid IUPAC Name: 1-[4-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one; oxalic acid Traditional Name: 1-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]piperazino]-2-methyl-propan-1-one; oxalic acid Formula: C24H38N2O7 MolecularWeight: 466.56772

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(C)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(C)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H36N2O3.C2H2O4/c1-16(2)21(26)24-11-9-23(10-12-24)14-19(25)15-27-20-8-7-18(13-17(20)3)22(4,5)6;3-1(4)2(5)6/h7-8,13,16,19,25H,9-12,14-15H2,1-6H3;(H,3,4)(H,5,6)