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

Systemtic Name: 4-[(2S)-2-methyl-3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2S)-2-methyl-3-oxo-4-propyl-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(2S)-3-keto-2-methyl-4-propyl-1,4-benzoxazin-6-yl]butyric acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-3-8-17-12-9-11(13(18)5-7-15(19)20)4-6-14(12)22-10(2)16(17)21/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,19,20)/t10-/m0/s1