propyl 2-[(2S)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: propyl 2-[(2S)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: propyl 2-[(2S)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]acetic acid propyl ester IUPAC Name: propyl 2-[(2S)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]acetic acid propyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)OCCC)C(C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@H](C(=O)N2CC(=O)OCCC)C(C)C

InChI

InChI=1S/C20H27NO5/c1-5-7-16(22)14-8-9-17-15(11-14)21(12-18(23)25-10-6-2)20(24)19(26-17)13(3)4/h8-9,11,13,19H,5-7,10,12H2,1-4H3/t19-/m0/s1