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

Systemtic Name: 4-oxidanylidene-4-[(2R)-3-oxidanylidene-4-(3-oxidanylpropyl)-2-propan-2-yl-1,4-benzoxazin-6-yl]butanoate Openeye Name: 4-[(2R)-4-(3-hydroxypropyl)-2-isopropyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2R)-4-(3-hydroxypropyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2R)-4-(3-hydroxypropyl)-3-oxo-2-propan-2-yl-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2R)-4-(3-hydroxypropyl)-2-isopropyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C18H22NO6- MolecularWeight: 348.37038

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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-])CCCO

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6/c1-11(2)17-18(24)19(8-3-9-20)13-10-12(4-6-15(13)25-17)14(21)5-7-16(22)23/h4,6,10-11,17,20H,3,5,7-9H2,1-2H3,(H,22,23)/p-1/t17-/m1/s1