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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClNO3/c1-4-9-16(3,15(20)21)18-14(19)8-7-12-6-5-11(2)13(17)10-12/h5-6,10H,4,7-9H2,1-3H3,(H,18,19)(H,20,21)