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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)NC(CC(C)C)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)NC(CC(C)C)C(=O)O)Cl

InChI

InChI=1S/C16H22ClNO3/c1-10(2)8-14(16(20)21)18-15(19)7-6-12-5-4-11(3)13(17)9-12/h4-5,9-10,14H,6-8H2,1-3H3,(H,18,19)(H,20,21)