(E)-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[(1S)-1-cyclohexylethyl]amino]-4-keto-but-2-enoic acid Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C=CC(=O)O

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C12H19NO3/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)/b8-7+/t9-/m0/s1