3-methyl-2-[[(2S)-2-methylpentanoyl]amino]benzoate

Systemtic Name: 3-methyl-2-[[(2S)-2-methylpentanoyl]amino]benzoate Openeye Name: 3-methyl-2-[[(2S)-2-methylpentanoyl]amino]benzoate CAS Name: 3-methyl-2-[[(2S)-2-methyl-1-oxopentyl]amino]benzoate IUPAC Name: 3-methyl-2-[[(2S)-2-methylpentanoyl]amino]benzoate Traditional Name: 3-methyl-2-[[(2S)-2-methylpentanoyl]amino]benzoate Formula: C14H18NO3- MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)NC1=C(C=CC=C1C)C(=O)[O-]

Isomeric SMILES

CCC[C@H](C)C(=O)NC1=C(C=CC=C1C)C(=O)[O-]

InChI

InChI=1S/C14H19NO3/c1-4-6-10(3)13(16)15-12-9(2)7-5-8-11(12)14(17)18/h5,7-8,10H,4,6H2,1-3H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1