5-(6-azanylhexanoylamino)-2-chloranyl-benzoic acid

Systemtic Name: 5-(6-azanylhexanoylamino)-2-chloranyl-benzoic acid Openeye Name: 5-(6-aminohexanoylamino)-2-chloro-benzoic acid CAS Name: 5-[(6-amino-1-oxohexyl)amino]-2-chlorobenzoic acid IUPAC Name: 5-(6-aminohexanoylamino)-2-chlorobenzoic acid Traditional Name: 5-(6-aminohexanoylamino)-2-chloro-benzoic acid Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCCCN)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCCCN)C(=O)O)Cl

InChI

InChI=1S/C13H17ClN2O3/c14-11-6-5-9(8-10(11)13(18)19)16-12(17)4-2-1-3-7-15/h5-6,8H,1-4,7,15H2,(H,16,17)(H,18,19)