4-[(4-chloranylbutanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(4-chloranylbutanoylamino)methyl]benzoic acid Openeye Name: 4-[(4-chlorobutanoylamino)methyl]benzoic acid CAS Name: 4-[[(4-chloro-1-oxobutyl)amino]methyl]benzoic acid IUPAC Name: 4-[(4-chlorobutanoylamino)methyl]benzoic acid Traditional Name: 4-[(4-chlorobutanoylamino)methyl]benzoic acid Formula: C12H14ClNO3 MolecularWeight: 255.69746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCCCl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCCCl)C(=O)O

InChI

InChI=1S/C12H14ClNO3/c13-7-1-2-11(15)14-8-9-3-5-10(6-4-9)12(16)17/h3-6H,1-2,7-8H2,(H,14,15)(H,16,17)