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

Systemtic Name: methyl (2S)-2-[(2S)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate Openeye Name: methyl (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propionic acid methyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(C2=C(O1)C=CC(=C2)C(=O)C)C(C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-5-13-9-17(10(2)16(19)20-4)14-8-12(11(3)18)6-7-15(14)21-13/h6-8,10,13H,5,9H2,1-4H3/t10-,13-/m0/s1