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

Systemtic Name: ethyl (2S)-2-[(2R)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl (2S)-2-[(2R)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2R)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2R)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2R)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid ethyl ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-5-14-11-19(15(6-2)18(21)22-7-3)16-10-13(12(4)20)8-9-17(16)23-14/h8-10,14-15H,5-7,11H2,1-4H3/t14-,15+/m1/s1