2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[3-(2,4-dichlorophenyl)-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methylpentanoic acid Traditional Name: 2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methyl-valeric acid Formula: C15H19Cl2NO3 MolecularWeight: 332.22226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C15H19Cl2NO3/c1-3-9(2)14(15(20)21)18-13(19)7-5-10-4-6-11(16)8-12(10)17/h4,6,8-9,14H,3,5,7H2,1-2H3,(H,18,19)(H,20,21)