4-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-2-one; ethanedioic acid

Systemtic Name: 4-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-2-one; ethanedioic acid Openeye Name: 4-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-2-one; oxalic acid CAS Name: 4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-2-piperazinone; oxalic acid IUPAC Name: 4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-2-one; oxalic acid Traditional Name: 4-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-2-one; oxalic acid Formula: C19H28N2O7 MolecularWeight: 396.43482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2CCNC(=O)C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CN2CCNC(=O)C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O3.C2H2O4/c1-17(2,3)14-6-4-5-7-15(14)22-12-13(20)10-19-9-8-18-16(21)11-19;3-1(4)2(5)6/h4-7,13,20H,8-12H2,1-3H3,(H,18,21);(H,3,4)(H,5,6)