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

Systemtic Name: methyl 2-[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[3-(3-chloro-4-methyl-phenyl)propanoylamino]-3-methyl-butanoate CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-1-oxopropyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[3-(3-chloro-4-methylphenyl)propanoylamino]-3-methylbutanoate Traditional Name: 2-[3-(3-chloro-4-methyl-phenyl)propanoylamino]-3-methyl-butyric acid methyl ester Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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