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

Systemtic Name: 2-methylpropyl 2-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: isobutyl 2-[(2R)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2R)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(2R)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2R)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]acetic acid isobutyl 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)N2CC(=O)OCC(C)C)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/c1-6-7-17(23)15-8-9-18-16(10-15)22(11-19(24)26-12-13(2)3)21(25)20(27-18)14(4)5/h8-10,13-14,20H,6-7,11-12H2,1-5H3/t20-/m1/s1