3-[2-[(3,4-dimethylphenyl)carbamoyl]-3,5-dimethyl-phenyl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[2-[(3,4-dimethylphenyl)carbamoyl]-3,5-dimethyl-phenyl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[2-[(3,4-dimethylphenyl)carbamoyl]-3,5-dimethyl-phenyl]-2,2-dimethyl-propanoic acid CAS Name: 3-[2-[(3,4-dimethylanilino)-oxomethyl]-3,5-dimethylphenyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[2-[(3,4-dimethylphenyl)carbamoyl]-3,5-dimethylphenyl]-2,2-dimethylpropanoic acid Traditional Name: 3-[2-[(3,4-dimethylphenyl)carbamoyl]-3,5-dimethyl-phenyl]-2,2-dimethyl-propionic acid Formula: C22H27NO3 MolecularWeight: 353.45468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2CC(C)(C)C(=O)O)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2CC(C)(C)C(=O)O)C)C)C

InChI

InChI=1S/C22H27NO3/c1-13-9-16(4)19(17(10-13)12-22(5,6)21(25)26)20(24)23-18-8-7-14(2)15(3)11-18/h7-11H,12H2,1-6H3,(H,23,24)(H,25,26)