(E)-4-oxidanylidene-4-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]but-2-enoate Openeye Name: (E)-4-oxo-4-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]but-2-enoate CAS Name: (E)-4-oxo-4-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]-2-butenoate IUPAC Name: (E)-4-oxo-4-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]but-2-enoate Traditional Name: (E)-4-keto-4-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]but-2-enoate Formula: C13H20NO3- MolecularWeight: 238.3028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

C[C@@H]1C[C@@H](CC(C1)(C)C)NC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C13H21NO3/c1-9-6-10(8-13(2,3)7-9)14-11(15)4-5-12(16)17/h4-5,9-10H,6-8H2,1-3H3,(H,14,15)(H,16,17)/p-1/b5-4+/t9-,10+/m1/s1