2-methyl-3-(pentanoylamino)benzoate

Systemtic Name: 2-methyl-3-(pentanoylamino)benzoate Openeye Name: 2-methyl-3-(pentanoylamino)benzoate CAS Name: 2-methyl-3-(1-oxopentylamino)benzoate IUPAC Name: 2-methyl-3-(pentanoylamino)benzoate Traditional Name: 2-methyl-3-(valerylamino)benzoate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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