4-[(2S)-4-(methoxymethyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2S)-4-(methoxymethyl)-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2S)-2-isopropyl-4-(methoxymethyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2S)-4-(methoxymethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2S)-4-(methoxymethyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2S)-2-isopropyl-3-keto-4-(methoxymethyl)-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C17H20NO6- MolecularWeight: 334.3438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])COC

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO6/c1-10(2)16-17(22)18(9-23-3)12-8-11(4-6-14(12)24-16)13(19)5-7-15(20)21/h4,6,8,10,16H,5,7,9H2,1-3H3,(H,20,21)/p-1/t16-/m0/s1