methyl (2S)-2-azanyl-2-cyclohexa-1,4-dien-1-yl-ethanoate

Systemtic Name: methyl (2S)-2-azanyl-2-cyclohexa-1,4-dien-1-yl-ethanoate Openeye Name: methyl (2S)-2-amino-2-cyclohexa-1,4-dien-1-yl-acetate CAS Name: (2S)-2-amino-2-(1-cyclohexa-1,4-dienyl)acetic acid methyl ester IUPAC Name: methyl (2S)-2-amino-2-cyclohexa-1,4-dien-1-ylacetate Traditional Name: (2S)-2-amino-2-cyclohexa-1,4-dien-1-yl-acetic acid methyl ester Formula: C9H13NO2 MolecularWeight: 167.20502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CCC=CC1)N

Isomeric SMILES

COC(=O)[C@H](C1=CCC=CC1)N

InChI

InChI=1S/C9H13NO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-3,6,8H,4-5,10H2,1H3/t8-/m0/s1