3-[(2R)-6,8-dimethyl-2-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[(2R)-6,8-dimethyl-2-(2-methylpropyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-2-isobutyl-6,8-dimethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-6,8-dimethyl-2-(2-methylpropyl)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-6,8-dimethyl-2-(2-methylpropyl)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-2-isobutyl-3-keto-6,8-dimethyl-1,4-benzoxazin-4-yl]propionic acid Formula: C17H23NO4 MolecularWeight: 305.36882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=O)C(O2)CC(C)C)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=O)[C@H](O2)CC(C)C)CCC(=O)O)C

InChI

InChI=1S/C17H23NO4/c1-10(2)7-14-17(21)18(6-5-15(19)20)13-9-11(3)8-12(4)16(13)22-14/h8-10,14H,5-7H2,1-4H3,(H,19,20)/t14-/m1/s1