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

Systemtic Name: ethyl 3-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: ethyl 3-[(2R)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2R)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2R)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2R)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propionic acid ethyl 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)N2CCC(=O)OCC)C(C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CCC(=O)OCC)C(C)C

InChI

InChI=1S/C20H27NO5/c1-5-7-16(22)14-8-9-17-15(12-14)21(11-10-18(23)25-6-2)20(24)19(26-17)13(3)4/h8-9,12-13,19H,5-7,10-11H2,1-4H3/t19-/m1/s1