(E)-3-(2-ethylhexylamino)but-2-enoic acid

Systemtic Name: (E)-3-(2-ethylhexylamino)but-2-enoic acid Openeye Name: (E)-3-(2-ethylhexylamino)but-2-enoic acid CAS Name: (E)-3-(2-ethylhexylamino)-2-butenoic acid IUPAC Name: (E)-3-(2-ethylhexylamino)but-2-enoic acid Traditional Name: (E)-3-(2-ethylhexylamino)but-2-enoic acid Formula: C12H23NO2 MolecularWeight: 213.31652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=CC(=O)O)C

Isomeric SMILES

CCCCC(CC)CN/C(=C/C(=O)O)/C

InChI

InChI=1S/C12H23NO2/c1-4-6-7-11(5-2)9-13-10(3)8-12(14)15/h8,11,13H,4-7,9H2,1-3H3,(H,14,15)/b10-8+