2-[2,6-di(propan-2-yl)phenyl]benzamide; ethanoic acid

Systemtic Name: 2-[2,6-di(propan-2-yl)phenyl]benzamide; ethanoic acid Openeye Name: acetic acid; 2-(2,6-diisopropylphenyl)benzamide CAS Name: acetic acid; 2-[2,6-di(propan-2-yl)phenyl]benzamide IUPAC Name: acetic acid; 2-[2,6-di(propan-2-yl)phenyl]benzamide Traditional Name: acetic acid; 2-(2,6-diisopropylphenyl)benzamide Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)C2=CC=CC=C2C(=O)N.CC(=O)O

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)C2=CC=CC=C2C(=O)N.CC(=O)O

InChI

InChI=1S/C19H23NO.C2H4O2/c1-12(2)14-10-7-11-15(13(3)4)18(14)16-8-5-6-9-17(16)19(20)21;1-2(3)4/h5-13H,1-4H3,(H2,20,21);1H3,(H,3,4)