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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2OC(C1=O)CC(=O)O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C15H19NO4/c1-2-3-6-9-16-11-7-4-5-8-12(11)20-13(15(16)19)10-14(17)18/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,17,18)/t13-/m0/s1