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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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