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

Systemtic Name: ethanedioic acid; 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide Openeye Name: oxalic acid; N-(2-phenylphenyl)-2-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]propanamide CAS Name: oxalic acid; 2-[4-(2-oxolanylmethyl)-1-piperazinyl]-N-(2-phenylphenyl)propanamide IUPAC Name: oxalic acid; 2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-N-(2-phenylphenyl)propanamide Traditional Name: oxalic acid; N-(2-phenylphenyl)-2-[4-(tetrahydrofurfuryl)piperazino]propionamide Formula: C28H35N3O10 MolecularWeight: 573.5916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N3CCN(CC3)CC4CCCO4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)N3CCN(CC3)CC4CCCO4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31N3O2.2C2H2O4/c1-19(27-15-13-26(14-16-27)18-21-10-7-17-29-21)24(28)25-23-12-6-5-11-22(23)20-8-3-2-4-9-20;2*3-1(4)2(5)6/h2-6,8-9,11-12,19,21H,7,10,13-18H2,1H3,(H,25,28);2*(H,3,4)(H,5,6)