2-[4-(2-methyl-3-oxidanylidene-butyl)phenyl]propanoic acid

Systemtic Name: 2-[4-(2-methyl-3-oxidanylidene-butyl)phenyl]propanoic acid Openeye Name: 2-[4-(2-methyl-3-oxo-butyl)phenyl]propanoic acid CAS Name: 2-[4-(2-methyl-3-oxobutyl)phenyl]propanoic acid IUPAC Name: 2-[4-(2-methyl-3-oxobutyl)phenyl]propanoic acid Traditional Name: 2-[4-(3-keto-2-methyl-butyl)phenyl]propionic acid Formula: C14H18O3 MolecularWeight: 234.29092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)C

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(C)C(=O)O)C(=O)C

InChI

InChI=1S/C14H18O3/c1-9(11(3)15)8-12-4-6-13(7-5-12)10(2)14(16)17/h4-7,9-10H,8H2,1-3H3,(H,16,17)