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

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-hexylphenyl)propan-2-amine Openeye Name: fumaric acid; 1-(4-hexylphenyl)propan-2-amine CAS Name: (E)-2-butenedioic acid; 1-(4-hexylphenyl)-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 1-(4-hexylphenyl)propan-2-amine Traditional Name: fumaric acid; [2-(4-hexylphenyl)-1-methyl-ethyl]amine Formula: C19H29NO4 MolecularWeight: 335.43786

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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)/b;2-1+