3-methyl-2-(3,5,5-trimethylhexanoylamino)benzoic acid

Systemtic Name: 3-methyl-2-(3,5,5-trimethylhexanoylamino)benzoic acid Openeye Name: 3-methyl-2-(3,5,5-trimethylhexanoylamino)benzoic acid CAS Name: 3-methyl-2-[(3,5,5-trimethyl-1-oxohexyl)amino]benzoic acid IUPAC Name: 3-methyl-2-(3,5,5-trimethylhexanoylamino)benzoic acid Traditional Name: 3-methyl-2-(3,5,5-trimethylhexanoylamino)benzoic acid Formula: C17H25NO3 MolecularWeight: 291.3853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)CC(C)CC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)CC(C)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C17H25NO3/c1-11(10-17(3,4)5)9-14(19)18-15-12(2)7-6-8-13(15)16(20)21/h6-8,11H,9-10H2,1-5H3,(H,18,19)(H,20,21)