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

Systemtic Name: 4-[(2R)-2-ethyl-4-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2R)-2-ethyl-4-isobutyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2R)-2-ethyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2R)-2-ethyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2R)-2-ethyl-4-isobutyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-4-15-18(23)19(10-11(2)3)13-9-12(5-7-16(13)24-15)14(20)6-8-17(21)22/h5,7,9,11,15H,4,6,8,10H2,1-3H3,(H,21,22)/t15-/m1/s1