6-[[4-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[4-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]carbonylamino]hexanoic acid Openeye Name: 6-[[4-[(3-chloro-2,2-dimethyl-propanoyl)amino]benzoyl]amino]hexanoic acid CAS Name: 6-[[[4-[(3-chloro-2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]benzoyl]amino]hexanoic acid Traditional Name: 6-[[4-[(3-chloro-2,2-dimethyl-propanoyl)amino]benzoyl]amino]hexanoic acid Formula: C18H25ClN2O4 MolecularWeight: 368.8551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O4/c1-18(2,12-19)17(25)21-14-9-7-13(8-10-14)16(24)20-11-5-3-4-6-15(22)23/h7-10H,3-6,11-12H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)