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

Systemtic Name: ethanedioic acid; N-[2-[3-(phenylmethyl)-1,3-diazinan-1-yl]ethyl]aniline Openeye Name: N-[2-(3-benzylhexahydropyrimidin-1-yl)ethyl]aniline; oxalic acid CAS Name: oxalic acid; N-[2-[3-(phenylmethyl)-1,3-diazinan-1-yl]ethyl]aniline IUPAC Name: N-[2-(3-benzyl-1,3-diazinan-1-yl)ethyl]aniline; oxalic acid Traditional Name: 2-(3-benzylhexahydropyrimidin-1-yl)ethyl-phenyl-amine; oxalic acid Formula: C23H29N3O8 MolecularWeight: 475.49166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CN(C1)CC2=CC=CC=C2)CCNC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CN(C1)CC2=CC=CC=C2)CCNC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25N3.2C2H2O4/c1-3-8-18(9-4-1)16-22-14-7-13-21(17-22)15-12-20-19-10-5-2-6-11-19;2*3-1(4)2(5)6/h1-6,8-11,20H,7,12-17H2;2*(H,3,4)(H,5,6)