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

Systemtic Name: ethanedioic acid; N-[2-(3-phenethyl-1,3-diazinan-1-yl)ethyl]-N-phenyl-propanamide Openeye Name: oxalic acid; N-[2-(3-phenethylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propanamide CAS Name: oxalic acid; N-[2-(3-phenethyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide IUPAC Name: oxalic acid; N-[2-(3-phenethyl-1,3-diazinan-1-yl)ethyl]-N-phenylpropanamide Traditional Name: oxalic acid; N-[2-(3-phenethylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propionamide Formula: C27H35N3O9 MolecularWeight: 545.5815

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCN1CCCN(C1)CCC2=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)CCC2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H31N3O.2C2H2O4/c1-2-23(27)26(22-12-7-4-8-13-22)19-18-25-16-9-15-24(20-25)17-14-21-10-5-3-6-11-21;2*3-1(4)2(5)6/h3-8,10-13H,2,9,14-20H2,1H3;2*(H,3,4)(H,5,6)