ethanedioic acid; N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]-N-phenyl-propanamide

Systemtic Name: ethanedioic acid; N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]-N-phenyl-propanamide Openeye Name: N-[2-(3-ethylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propanamide; oxalic acid CAS Name: N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid IUPAC Name: N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid Traditional Name: N-[2-(3-ethylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propionamide; oxalic acid Formula: C21H31N3O9 MolecularWeight: 469.48554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCN1CCCN(C1)CC)C2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(CCN1CCCN(C1)CC)C2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27N3O.2C2H2O4/c1-3-17(21)20(16-9-6-5-7-10-16)14-13-19-12-8-11-18(4-2)15-19;2*3-1(4)2(5)6/h5-7,9-10H,3-4,8,11-15H2,1-2H3;2*(H,3,4)(H,5,6)