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

Systemtic Name: 4-[(2R)-2-ethyl-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2R)-2-ethyl-4-isopentyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2R)-2-ethyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2R)-2-ethyl-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2R)-2-ethyl-4-isoamyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C19H24NO5- MolecularWeight: 346.39756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CCC(C)C

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CCC(C)C

InChI

InChI=1S/C19H25NO5/c1-4-16-19(24)20(10-9-12(2)3)14-11-13(5-7-17(14)25-16)15(21)6-8-18(22)23/h5,7,11-12,16H,4,6,8-10H2,1-3H3,(H,22,23)/p-1/t16-/m1/s1