dimethyl 2-[(E,2S)-5-oxidanylidene-5-[[(1S)-1-phenylethyl]amino]pent-3-en-2-yl]propanedioate

Systemtic Name: dimethyl 2-[(E,2S)-5-oxidanylidene-5-[[(1S)-1-phenylethyl]amino]pent-3-en-2-yl]propanedioate Openeye Name: dimethyl 2-[(E,1S)-1-methyl-4-oxo-4-[[(1S)-1-phenylethyl]amino]but-2-enyl]propanedioate CAS Name: 2-[(E,2S)-5-oxo-5-[[(1S)-1-phenylethyl]amino]pent-3-en-2-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(E,2S)-5-oxo-5-[[(1S)-1-phenylethyl]amino]pent-3-en-2-yl]propanedioate Traditional Name: 2-[(E,1S)-4-keto-1-methyl-4-[[(1S)-1-phenylethyl]amino]but-2-enyl]malonic acid dimethyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(=O)NC(C)C1=CC=CC=C1)C(C(=O)OC)C(=O)OC

Isomeric SMILES

C[C@@H](/C=C/C(=O)N[C@@H](C)C1=CC=CC=C1)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H23NO5/c1-12(16(17(21)23-3)18(22)24-4)10-11-15(20)19-13(2)14-8-6-5-7-9-14/h5-13,16H,1-4H3,(H,19,20)/b11-10+/t12-,13-/m0/s1