methyl (2S)-2-acetamido-3-cyclohexa-1,4-dien-1-yl-propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-cyclohexa-1,4-dien-1-yl-propanoate Openeye Name: methyl (2S)-2-acetamido-3-cyclohexa-1,4-dien-1-yl-propanoate CAS Name: (2S)-2-acetamido-3-(1-cyclohexa-1,4-dienyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-cyclohexa-1,4-dien-1-ylpropanoate Traditional Name: (2S)-2-acetamido-3-cyclohexa-1,4-dien-1-yl-propionic acid methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-4,7,11H,5-6,8H2,1-2H3,(H,13,14)/t11-/m0/s1