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

Systemtic Name: 2-[(2S)-4-hexyl-6-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-hexyl-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-hexyl-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-hexyl-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-hexyl-3-keto-6-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C17H23NO4 MolecularWeight: 305.36882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)C)OC(C1=O)CC(=O)O

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)C)O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C17H23NO4/c1-3-4-5-6-9-18-13-10-12(2)7-8-14(13)22-15(17(18)21)11-16(19)20/h7-8,10,15H,3-6,9,11H2,1-2H3,(H,19,20)/t15-/m0/s1