6-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]hexanoic acid

Systemtic Name: 6-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]hexanoic acid Openeye Name: 6-[3-(3-chloro-4-methyl-phenyl)propanoylamino]hexanoic acid CAS Name: 6-[[3-(3-chloro-4-methylphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[3-(3-chloro-4-methylphenyl)propanoylamino]hexanoic acid Traditional Name: 6-[3-(3-chloro-4-methyl-phenyl)propanoylamino]hexanoic acid Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)NCCCCCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)NCCCCCC(=O)O)Cl

InChI

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