methyl 4-chloranyl-3-(pentanoylamino)benzoate

Systemtic Name: methyl 4-chloranyl-3-(pentanoylamino)benzoate Openeye Name: methyl 4-chloro-3-(pentanoylamino)benzoate CAS Name: 4-chloro-3-(1-oxopentylamino)benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(pentanoylamino)benzoate Traditional Name: 4-chloro-3-(valerylamino)benzoic acid methyl ester Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/c1-3-4-5-12(16)15-11-8-9(13(17)18-2)6-7-10(11)14/h6-8H,3-5H2,1-2H3,(H,15,16)