4-[[(2R)-6-ethanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]methyl]benzoic acid

Systemtic Name: 4-[[(2R)-6-ethanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2R)-6-acetyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2R)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2R)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2R)-6-acetyl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21NO5/c1-12(2)19-20(24)22(11-14-4-6-15(7-5-14)21(25)26)17-10-16(13(3)23)8-9-18(17)27-19/h4-10,12,19H,11H2,1-3H3,(H,25,26)/t19-/m1/s1