4-methyl-3-(pentanoylamino)benzoate

Systemtic Name: 4-methyl-3-(pentanoylamino)benzoate Openeye Name: 4-methyl-3-(pentanoylamino)benzoate CAS Name: 4-methyl-3-(1-oxopentylamino)benzoate IUPAC Name: 4-methyl-3-(pentanoylamino)benzoate Traditional Name: 4-methyl-3-(valerylamino)benzoate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=CC(=C1)C(=O)[O-])C

Isomeric SMILES

CCCCC(=O)NC1=C(C=CC(=C1)C(=O)[O-])C

InChI

InChI=1S/C13H17NO3/c1-3-4-5-12(15)14-11-8-10(13(16)17)7-6-9(11)2/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)/p-1