(E)-but-2-enedioic acid; 2,6-dimethyl-4-propyl-heptan-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 2,6-dimethyl-4-propyl-heptan-4-amine Openeye Name: 2,6-dimethyl-4-propyl-heptan-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2,6-dimethyl-4-propyl-4-heptanamine IUPAC Name: (E)-but-2-enedioic acid; 2,6-dimethyl-4-propylheptan-4-amine Traditional Name: fumaric acid; (1-isobutyl-3-methyl-1-propyl-butyl)amine Formula: C16H31NO4 MolecularWeight: 301.42164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C)C)(CC(C)C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC(CC(C)C)(CC(C)C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H27N.C4H4O4/c1-6-7-12(13,8-10(2)3)9-11(4)5;5-3(6)1-2-4(7)8/h10-11H,6-9,13H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+