2-chloranyl-5-(2-methylpentan-3-ylamino)benzoic acid

Systemtic Name: 2-chloranyl-5-(2-methylpentan-3-ylamino)benzoic acid Openeye Name: 2-chloro-5-[(1-ethyl-2-methyl-propyl)amino]benzoic acid CAS Name: 2-chloro-5-(2-methylpentan-3-ylamino)benzoic acid IUPAC Name: 2-chloro-5-(2-methylpentan-3-ylamino)benzoic acid Traditional Name: 2-chloro-5-[(1-ethyl-2-methyl-propyl)amino]benzoic acid Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C)NC1=CC(=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CCC(C(C)C)NC1=CC(=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C13H18ClNO2/c1-4-12(8(2)3)15-9-5-6-11(14)10(7-9)13(16)17/h5-8,12,15H,4H2,1-3H3,(H,16,17)