(E)-but-2-enedioic acid; 1-(4-butylphenyl)-N-methyl-propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-butylphenyl)-N-methyl-propan-2-amine Openeye Name: 1-(4-butylphenyl)-N-methyl-propan-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(4-butylphenyl)-N-methyl-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(4-butylphenyl)-N-methylpropan-2-amine Traditional Name: [2-(4-butylphenyl)-1-methyl-ethyl]-methyl-amine; fumaric acid Formula: C18H27NO4 MolecularWeight: 321.41128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(C)NC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(C)NC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H23N.C4H4O4/c1-4-5-6-13-7-9-14(10-8-13)11-12(2)15-3;5-3(6)1-2-4(7)8/h7-10,12,15H,4-6,11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+