3-azanyl-5-butyl-4-chloranyl-benzoic acid

Systemtic Name: 3-azanyl-5-butyl-4-chloranyl-benzoic acid Openeye Name: 3-amino-5-butyl-4-chloro-benzoic acid CAS Name: 3-amino-5-butyl-4-chlorobenzoic acid IUPAC Name: 3-amino-5-butyl-4-chlorobenzoic acid Traditional Name: 3-amino-5-butyl-4-chloro-benzoic acid Formula: C11H14ClNO2 MolecularWeight: 227.68736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1)C(=O)O)N)Cl

Isomeric SMILES

CCCCC1=C(C(=CC(=C1)C(=O)O)N)Cl

InChI

InChI=1S/C11H14ClNO2/c1-2-3-4-7-5-8(11(14)15)6-9(13)10(7)12/h5-6H,2-4,13H2,1H3,(H,14,15)