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

Systemtic Name: ethanedioic acid; N-phenyl-N-[2-(3-propan-2-yl-1,3-diazinan-1-yl)ethyl]propanamide Openeye Name: N-[2-(3-isopropylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propanamide; oxalic acid CAS Name: oxalic acid; N-phenyl-N-[2-(3-propan-2-yl-1,3-diazinan-1-yl)ethyl]propanamide IUPAC Name: oxalic acid; N-phenyl-N-[2-(3-propan-2-yl-1,3-diazinan-1-yl)ethyl]propanamide Traditional Name: N-[2-(3-isopropylhexahydropyrimidin-1-yl)ethyl]-N-phenyl-propionamide; oxalic acid Formula: C22H33N3O9 MolecularWeight: 483.51212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O.2C2H2O4/c1-4-18(22)21(17-9-6-5-7-10-17)14-13-19-11-8-12-20(15-19)16(2)3;2*3-1(4)2(5)6/h5-7,9-10,16H,4,8,11-15H2,1-3H3;2*(H,3,4)(H,5,6)