ethanedioic acid; 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-N-phenyl-propanamide

Systemtic Name: ethanedioic acid; 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-N-phenyl-propanamide Openeye Name: oxalic acid; N-phenyl-2-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]propanamide CAS Name: oxalic acid; 2-[4-(2-oxolanylmethyl)-1-piperazinyl]-N-phenylpropanamide IUPAC Name: oxalic acid; 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-N-phenylpropanamide Traditional Name: oxalic acid; N-phenyl-2-[4-(tetrahydrofurfuryl)piperazino]propionamide Formula: C22H31N3O10 MolecularWeight: 497.49564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)N2CCN(CC2)CC3CCCO3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)N2CCN(CC2)CC3CCCO3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O2.2C2H2O4/c1-15(18(22)19-16-6-3-2-4-7-16)21-11-9-20(10-12-21)14-17-8-5-13-23-17;2*3-1(4)2(5)6/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,19,22);2*(H,3,4)(H,5,6)