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

Systemtic Name: 3-methylbutyl 2-[(2R)-3-oxidanylidene-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: isopentyl 2-[(2R)-2-isopropyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2R)-3-oxo-6-(1-oxopropyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[(2R)-3-oxo-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2R)-2-isopropyl-3-keto-6-propionyl-1,4-benzoxazin-4-yl]acetic acid isoamyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/c1-6-17(23)15-7-8-18-16(11-15)22(21(25)20(27-18)14(4)5)12-19(24)26-10-9-13(2)3/h7-8,11,13-14,20H,6,9-10,12H2,1-5H3/t20-/m1/s1