(2S)-1-[[(2S)-2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]carbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[[(2S)-2,6-dimethyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[(2S)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-2-yl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-3-keto-2,6-dimethyl-4H-1,4-benzoxazine-2-carbonyl]proline Formula: C16H18N2O5 MolecularWeight: 318.32452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2)(C)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@](C(=O)N2)(C)C(=O)N3CCC[C@H]3C(=O)O

InChI

InChI=1S/C16H18N2O5/c1-9-5-6-12-10(8-9)17-14(21)16(2,23-12)15(22)18-7-3-4-11(18)13(19)20/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,21)(H,19,20)/t11-,16-/m0/s1