methyl 3-methyl-4-(pentanoylamino)benzoate

Systemtic Name: methyl 3-methyl-4-(pentanoylamino)benzoate Openeye Name: methyl 3-methyl-4-(pentanoylamino)benzoate CAS Name: 3-methyl-4-(1-oxopentylamino)benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-(pentanoylamino)benzoate Traditional Name: 3-methyl-4-(valerylamino)benzoic acid methyl ester Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)C(=O)OC)C

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)C(=O)OC)C

InChI

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