4-(3,5,5-trimethylhexanoylamino)benzoic acid

Systemtic Name: 4-(3,5,5-trimethylhexanoylamino)benzoic acid Openeye Name: 4-(3,5,5-trimethylhexanoylamino)benzoic acid CAS Name: 4-[(3,5,5-trimethyl-1-oxohexyl)amino]benzoic acid IUPAC Name: 4-(3,5,5-trimethylhexanoylamino)benzoic acid Traditional Name: 4-(3,5,5-trimethylhexanoylamino)benzoic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=C(C=C1)C(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)NC1=CC=C(C=C1)C(=O)O)CC(C)(C)C

InChI

InChI=1S/C16H23NO3/c1-11(10-16(2,3)4)9-14(18)17-13-7-5-12(6-8-13)15(19)20/h5-8,11H,9-10H2,1-4H3,(H,17,18)(H,19,20)