(Z)-2-(2-ethylhexanoylamino)but-2-enoic acid

Systemtic Name: (Z)-2-(2-ethylhexanoylamino)but-2-enoic acid Openeye Name: (Z)-2-(2-ethylhexanoylamino)but-2-enoic acid CAS Name: (Z)-2-[(2-ethyl-1-oxohexyl)amino]-2-butenoic acid IUPAC Name: (Z)-2-(2-ethylhexanoylamino)but-2-enoic acid Traditional Name: (Z)-2-(2-ethylhexanoylamino)but-2-enoic acid Formula: C12H21NO3 MolecularWeight: 227.30004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC(=CC)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)N/C(=C\C)/C(=O)O

InChI

InChI=1S/C12H21NO3/c1-4-7-8-9(5-2)11(14)13-10(6-3)12(15)16/h6,9H,4-5,7-8H2,1-3H3,(H,13,14)(H,15,16)/b10-6-