ethyl (2R)-2-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: ethyl (2R)-2-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl (2R)-2-[(2R)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2R)-2-[(2R)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(2R)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2R)-2-[(2R)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]butyric acid ethyl 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(CC)C(=O)OCC)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/c1-6-9-17(23)14-10-11-18-16(12-14)22(15(7-2)21(25)26-8-3)20(24)19(27-18)13(4)5/h10-13,15,19H,6-9H2,1-5H3/t15-,19-/m1/s1