methyl (2S)-2-(3-oxidanylidenebutanoylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(3-oxidanylidenebutanoylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(3-oxobutanoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(1,3-dioxobutylamino)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3-oxobutanoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(acetoacetylamino)-3-phenyl-propionic acid methyl ester Formula: C14H17NO4 MolecularWeight: 263.28908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(=O)CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C14H17NO4/c1-10(16)8-13(17)15-12(14(18)19-2)9-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,15,17)/t12-/m0/s1