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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CC(C)C)C(=O)OC

InChI

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