(E)-but-2-enedioic acid; N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-propyl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-propyl-propan-1-amine Openeye Name: fumaric acid; N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-propyl-propan-1-amine CAS Name: (E)-2-butenedioic acid; N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-propyl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N-[(4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-N-propylpropan-1-amine Traditional Name: fumaric acid; (4-phenyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-dipropyl-amine Formula: C25H32N2O5 MolecularWeight: 440.53198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC1CN(C2=CC=CC=C2O1)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O.C4H4O4/c1-3-14-22(15-4-2)16-19-17-23(18-10-6-5-7-11-18)20-12-8-9-13-21(20)24-19;5-3(6)1-2-4(7)8/h5-13,19H,3-4,14-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+