methyl 3-[(2-azanyl-3-methyl-butanoyl)amino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[(2-azanyl-3-methyl-butanoyl)amino]-4-chloranyl-benzoate Openeye Name: methyl 3-[(2-amino-3-methyl-butanoyl)amino]-4-chloro-benzoate CAS Name: 3-[(2-amino-3-methyl-1-oxobutyl)amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-amino-3-methylbutanoyl)amino]-4-chlorobenzoate Traditional Name: 3-[(2-amino-3-methyl-butanoyl)amino]-4-chloro-benzoic acid methyl ester Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)N

Isomeric SMILES

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)N

InChI

InChI=1S/C13H17ClN2O3/c1-7(2)11(15)12(17)16-10-6-8(13(18)19-3)4-5-9(10)14/h4-7,11H,15H2,1-3H3,(H,16,17)