4-oxidanylidene-4-[[(2S)-1-phenylpropan-2-yl]amino]but-2-enoate

Systemtic Name: 4-oxidanylidene-4-[[(2S)-1-phenylpropan-2-yl]amino]but-2-enoate Openeye Name: 4-[[(1S)-1-methyl-2-phenyl-ethyl]amino]-4-oxo-but-2-enoate CAS Name: 4-oxo-4-[[(2S)-1-phenylpropan-2-yl]amino]-2-butenoate IUPAC Name: 4-oxo-4-[[(2S)-1-phenylpropan-2-yl]amino]but-2-enoate Traditional Name: 4-keto-4-[[(1S)-1-methyl-2-phenyl-ethyl]amino]but-2-enoate Formula: C13H14NO3- MolecularWeight: 232.25516

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

C[C@@H](CC1=CC=CC=C1)NC(=O)C=CC(=O)[O-]

InChI

InChI=1S/C13H15NO3/c1-10(9-11-5-3-2-4-6-11)14-12(15)7-8-13(16)17/h2-8,10H,9H2,1H3,(H,14,15)(H,16,17)/p-1/t10-/m0/s1