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

Systemtic Name: 2-[(2S)-6-methyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-isopropyl-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-6-methyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-6-methyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-isopropyl-3-keto-6-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C14H17NO4 MolecularWeight: 263.28908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2C(C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@H](C(=O)N2C(C)C)CC(=O)O

InChI

InChI=1S/C14H17NO4/c1-8(2)15-10-6-9(3)4-5-11(10)19-12(14(15)18)7-13(16)17/h4-6,8,12H,7H2,1-3H3,(H,16,17)/t12-/m0/s1