3,5-dimethyl-2-(pentanoylamino)benzoate

Systemtic Name: 3,5-dimethyl-2-(pentanoylamino)benzoate Openeye Name: 3,5-dimethyl-2-(pentanoylamino)benzoate CAS Name: 3,5-dimethyl-2-(1-oxopentylamino)benzoate IUPAC Name: 3,5-dimethyl-2-(pentanoylamino)benzoate Traditional Name: 3,5-dimethyl-2-(valerylamino)benzoate Formula: C14H18NO3- MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3/c1-4-5-6-12(16)15-13-10(3)7-9(2)8-11(13)14(17)18/h7-8H,4-6H2,1-3H3,(H,15,16)(H,17,18)/p-1