3-methyl-4-[[(2S)-2-methylbutanoyl]amino]benzoate

Systemtic Name: 3-methyl-4-[[(2S)-2-methylbutanoyl]amino]benzoate Openeye Name: 3-methyl-4-[[(2S)-2-methylbutanoyl]amino]benzoate CAS Name: 3-methyl-4-[[(2S)-2-methyl-1-oxobutyl]amino]benzoate IUPAC Name: 3-methyl-4-[[(2S)-2-methylbutanoyl]amino]benzoate Traditional Name: 3-methyl-4-[[(2S)-2-methylbutanoyl]amino]benzoate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=C(C=C(C=C1)C(=O)[O-])C

Isomeric SMILES

CC[C@H](C)C(=O)NC1=C(C=C(C=C1)C(=O)[O-])C

InChI

InChI=1S/C13H17NO3/c1-4-8(2)12(15)14-11-6-5-10(13(16)17)7-9(11)3/h5-8H,4H2,1-3H3,(H,14,15)(H,16,17)/p-1/t8-/m0/s1