2-chloranyl-5-(pentylamino)benzoic acid

Systemtic Name: 2-chloranyl-5-(pentylamino)benzoic acid Openeye Name: 2-chloro-5-(pentylamino)benzoic acid CAS Name: 2-chloro-5-(pentylamino)benzoic acid IUPAC Name: 2-chloro-5-(pentylamino)benzoic acid Traditional Name: 5-(amylamino)-2-chloro-benzoic acid Formula: C12H16ClNO2 MolecularWeight: 241.71394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=CC(=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CCCCCNC1=CC(=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C12H16ClNO2/c1-2-3-4-7-14-9-5-6-11(13)10(8-9)12(15)16/h5-6,8,14H,2-4,7H2,1H3,(H,15,16)