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

Systemtic Name: 4-chloranyl-3-(3,5,5-trimethylhexanoylamino)benzoic acid Openeye Name: 4-chloro-3-(3,5,5-trimethylhexanoylamino)benzoic acid CAS Name: 4-chloro-3-[(3,5,5-trimethyl-1-oxohexyl)amino]benzoic acid IUPAC Name: 4-chloro-3-(3,5,5-trimethylhexanoylamino)benzoic acid Traditional Name: 4-chloro-3-(3,5,5-trimethylhexanoylamino)benzoic acid Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO3/c1-10(9-16(2,3)4)7-14(19)18-13-8-11(15(20)21)5-6-12(13)17/h5-6,8,10H,7,9H2,1-4H3,(H,18,19)(H,20,21)