(E)-but-2-enedioate; 1-(4-hexylphenyl)propan-2-amine

Systemtic Name: (E)-but-2-enedioate; 1-(4-hexylphenyl)propan-2-amine Openeye Name: (E)-but-2-enedioate; 1-(4-hexylphenyl)propan-2-amine CAS Name: (E)-2-butenedioate; 1-(4-hexylphenyl)-2-propanamine IUPAC Name: (E)-but-2-enedioate; 1-(4-hexylphenyl)propan-2-amine Traditional Name: [2-(4-hexylphenyl)-1-methyl-ethyl]amine fumarate Formula: C19H27NO4-2 MolecularWeight: 333.42198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CC(C)N.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CC(C)N.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C15H25N.C4H4O4/c1-3-4-5-6-7-14-8-10-15(11-9-14)12-13(2)16;5-3(6)1-2-4(7)8/h8-11,13H,3-7,12,16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+