methyl 5-methyl-2-(3-methylbutanoylamino)benzoate

Systemtic Name: methyl 5-methyl-2-(3-methylbutanoylamino)benzoate Openeye Name: methyl 5-methyl-2-(3-methylbutanoylamino)benzoate CAS Name: 5-methyl-2-[(3-methyl-1-oxobutyl)amino]benzoic acid methyl ester IUPAC Name: methyl 5-methyl-2-(3-methylbutanoylamino)benzoate Traditional Name: 2-(isovalerylamino)-5-methyl-benzoic acid methyl ester Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(C)C)C(=O)OC

InChI

InChI=1S/C14H19NO3/c1-9(2)7-13(16)15-12-6-5-10(3)8-11(12)14(17)18-4/h5-6,8-9H,7H2,1-4H3,(H,15,16)