methyl (2S)-2-acetamido-2-methyl-3-[4-(3-oxidanylidenebutanoylamino)phenyl]propanoate

Systemtic Name: methyl (2S)-2-acetamido-2-methyl-3-[4-(3-oxidanylidenebutanoylamino)phenyl]propanoate Openeye Name: methyl (2S)-2-acetamido-2-methyl-3-[4-(3-oxobutanoylamino)phenyl]propanoate CAS Name: (2S)-2-acetamido-3-[4-(1,3-dioxobutylamino)phenyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-2-methyl-3-[4-(3-oxobutanoylamino)phenyl]propanoate Traditional Name: (2S)-2-acetamido-3-[4-(acetoacetylamino)phenyl]-2-methyl-propionic acid methyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=C(C=C1)CC(C)(C(=O)OC)NC(=O)C

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=C(C=C1)C[C@@](C)(C(=O)OC)NC(=O)C

InChI

InChI=1S/C17H22N2O5/c1-11(20)9-15(22)18-14-7-5-13(6-8-14)10-17(3,16(23)24-4)19-12(2)21/h5-8H,9-10H2,1-4H3,(H,18,22)(H,19,21)/t17-/m0/s1