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

Systemtic Name: butyl (2S)-2-[(2R)-6-ethanoyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate Openeye Name: butyl (2S)-2-[(2R)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2R)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoic acid butyl ester IUPAC Name: butyl (2S)-2-[(2R)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2R)-6-acetyl-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]propionic acid butyl ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)N1CC(OC2=C1C=C(C=C2)C(=O)C)CC

Isomeric SMILES

CCCCOC(=O)[C@H](C)N1C[C@H](OC2=C1C=C(C=C2)C(=O)C)CC

InChI

InChI=1S/C19H27NO4/c1-5-7-10-23-19(22)13(3)20-12-16(6-2)24-18-9-8-15(14(4)21)11-17(18)20/h8-9,11,13,16H,5-7,10,12H2,1-4H3/t13-,16+/m0/s1