(E)-but-2-enedioic acid; N,N-dimethyl-1-(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-1-(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine Openeye Name: N,N-dimethyl-1-(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-1-(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-1-(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanamine Traditional Name: dimethyl-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]amine; fumaric acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CN(C2=CC=CC=C2O1)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1CN(C2=CC=CC=C2O1)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H20N2O.C4H4O4/c1-18(2)12-15-13-19(14-8-4-3-5-9-14)16-10-6-7-11-17(16)20-15;5-3(6)1-2-4(7)8/h3-11,15H,12-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+