2-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]hexanoic acid

Systemtic Name: 2-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]hexanoic acid Openeye Name: 2-[3-(3-chloro-4-methyl-phenyl)propanoylamino]hexanoic acid CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[3-(3-chloro-4-methylphenyl)propanoylamino]hexanoic acid Traditional Name: 2-[3-(3-chloro-4-methyl-phenyl)propanoylamino]hexanoic acid Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CCC1=CC(=C(C=C1)C)Cl

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CCC1=CC(=C(C=C1)C)Cl

InChI

InChI=1S/C16H22ClNO3/c1-3-4-5-14(16(20)21)18-15(19)9-8-12-7-6-11(2)13(17)10-12/h6-7,10,14H,3-5,8-9H2,1-2H3,(H,18,19)(H,20,21)