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

Systemtic Name: 3-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propionic acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCC(=O)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-4-5-14(20)12-6-7-15-13(10-12)19(9-8-16(21)22)18(23)17(24-15)11(2)3/h6-7,10-11,17H,4-5,8-9H2,1-3H3,(H,21,22)/t17-/m1/s1