N-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-3-methyl-octanamide; 2-propylpentanoic acid

Systemtic Name: N-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-3-methyl-octanamide; 2-propylpentanoic acid Openeye Name: N-(3,5-dichloro-4-hydroxy-phenyl)-3-methyl-octanamide; 2-propylpentanoic acid CAS Name: N-(3,5-dichloro-4-hydroxyphenyl)-3-methyloctanamide; 2-propylpentanoic acid IUPAC Name: N-(3,5-dichloro-4-hydroxyphenyl)-3-methyloctanamide; 2-propylpentanoic acid Traditional Name: N-(3,5-dichloro-4-hydroxy-phenyl)-3-methyl-caprylamide; 2-propylvaleric acid Formula: C23H37Cl2NO4 MolecularWeight: 462.45018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CC(=O)NC1=CC(=C(C(=C1)Cl)O)Cl.CCCC(CCC)C(=O)O

Isomeric SMILES

CCCCCC(C)CC(=O)NC1=CC(=C(C(=C1)Cl)O)Cl.CCCC(CCC)C(=O)O

InChI

InChI=1S/C15H21Cl2NO2.C8H16O2/c1-3-4-5-6-10(2)7-14(19)18-11-8-12(16)15(20)13(17)9-11;1-3-5-7(6-4-2)8(9)10/h8-10,20H,3-7H2,1-2H3,(H,18,19);7H,3-6H2,1-2H3,(H,9,10)