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

Systemtic Name: (phenylmethyl) 2-[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanoate Openeye Name: benzyl 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid benzyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC[C@H]1CN(C2=C(O1)C=CC(=C2)C(=O)C)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO4/c1-3-18-12-22(13-21(24)25-14-16-7-5-4-6-8-16)19-11-17(15(2)23)9-10-20(19)26-18/h4-11,18H,3,12-14H2,1-2H3/t18-/m0/s1