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

Systemtic Name: 4-[(2S)-2-ethyl-3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S)-2-ethyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2S)-2-ethyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2S)-2-ethyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2S)-2-ethyl-3-keto-4-propyl-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)OC(C1=O)CC

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)O[C@H](C1=O)CC

InChI

InChI=1S/C17H21NO5/c1-3-9-18-12-10-11(13(19)6-8-16(20)21)5-7-15(12)23-14(4-2)17(18)22/h5,7,10,14H,3-4,6,8-9H2,1-2H3,(H,20,21)/t14-/m0/s1