4-[(2R)-2-ethyl-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2R)-2-ethyl-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2R)-2-ethyl-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2R)-2-ethyl-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2R)-2-ethyl-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2R)-2-ethyl-4-(3-hydroxypropyl)-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C17H21NO6 MolecularWeight: 335.35174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)CCCO

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO6/c1-2-14-17(23)18(8-3-9-19)12-10-11(4-6-15(12)24-14)13(20)5-7-16(21)22/h4,6,10,14,19H,2-3,5,7-9H2,1H3,(H,21,22)/t14-/m1/s1