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

Systemtic Name: propyl (2S)-2-[(2S)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: propyl (2S)-2-[(2S)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid propyl ester IUPAC Name: propyl (2S)-2-[(2S)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propionic acid propyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2C(C)C(=O)OCCC)C(C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@H](C(=O)N2[C@@H](C)C(=O)OCCC)C(C)C

InChI

InChI=1S/C21H29NO5/c1-6-8-17(23)15-9-10-18-16(12-15)22(14(5)21(25)26-11-7-2)20(24)19(27-18)13(3)4/h9-10,12-14,19H,6-8,11H2,1-5H3/t14-,19-/m0/s1