2-[(2S)-4-butyl-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-butyl-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-butyl-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-butyl-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-butyl-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-butyl-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C)OC(C1=O)CC(=O)O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C)O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C15H19NO4/c1-3-4-7-16-11-6-5-10(2)8-12(11)20-13(15(16)19)9-14(17)18/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,17,18)/t13-/m0/s1