2-(azepan-1-yl)-6-chloranyl-benzoic acid

Systemtic Name: 2-(azepan-1-yl)-6-chloranyl-benzoic acid Openeye Name: 2-(azepan-1-yl)-6-chloro-benzoic acid CAS Name: 2-(1-azepanyl)-6-chlorobenzoic acid IUPAC Name: 2-(azepan-1-yl)-6-chlorobenzoic acid Traditional Name: 2-(azepan-1-yl)-6-chloro-benzoic acid Formula: C13H16ClNO2 MolecularWeight: 253.72464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=CC=C2)Cl)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C13H16ClNO2/c14-10-6-5-7-11(12(10)13(16)17)15-8-3-1-2-4-9-15/h5-7H,1-4,8-9H2,(H,16,17)