(2S)-2-[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: (2S)-2-[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Openeye Name: (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butyrate Formula: C16H20NO4- MolecularWeight: 290.3343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C(=O)C)C(CC)C(=O)[O-]

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=CC(=C2)C(=O)C)[C@@H](CC)C(=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-4-12-9-17(13(5-2)16(19)20)14-8-11(10(3)18)6-7-15(14)21-12/h6-8,12-13H,4-5,9H2,1-3H3,(H,19,20)/p-1/t12-,13-/m0/s1