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

Systemtic Name: ethanedioic acid; N-phenyl-N-[2-[3-(phenylmethyl)-1,3-diazinan-1-yl]ethyl]propanamide Openeye Name: N-[2-(3-benzylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propanamide; oxalic acid CAS Name: oxalic acid; N-phenyl-N-[2-[3-(phenylmethyl)-1,3-diazinan-1-yl]ethyl]propanamide IUPAC Name: N-[2-(3-benzyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide; oxalic acid Traditional Name: N-[2-(3-benzylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propionamide; oxalic acid Formula: C26H33N3O9 MolecularWeight: 531.55492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCN1CCCN(C1)CC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(CCN1CCCN(C1)CC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O.2C2H2O4/c1-2-22(26)25(21-12-7-4-8-13-21)17-16-23-14-9-15-24(19-23)18-20-10-5-3-6-11-20;2*3-1(4)2(5)6/h3-8,10-13H,2,9,14-19H2,1H3;2*(H,3,4)(H,5,6)