ethanedioic acid; [4-[3-[(2-methylpropan-2-yl)oxy]-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[3-[(2-methylpropan-2-yl)oxy]-2-oxidanyl-propyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(3-tert-butoxy-2-hydroxy-propyl)piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(3-tert-butoxy-2-hydroxy-propyl)piperazino]-phenyl-methanone; oxalic acid Formula: C20H30N2O7 MolecularWeight: 410.4614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC(CN1CCN(CC1)C(=O)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)OCC(CN1CCN(CC1)C(=O)C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O3.C2H2O4/c1-18(2,3)23-14-16(21)13-19-9-11-20(12-10-19)17(22)15-7-5-4-6-8-15;3-1(4)2(5)6/h4-8,16,21H,9-14H2,1-3H3;(H,3,4)(H,5,6)