3-(azepan-1-ylcarbonyl)benzoic acid

Systemtic Name: 3-(azepan-1-ylcarbonyl)benzoic acid Openeye Name: 3-(azepane-1-carbonyl)benzoic acid CAS Name: 3-[1-azepanyl(oxo)methyl]benzoic acid IUPAC Name: 3-(azepane-1-carbonyl)benzoic acid Traditional Name: 3-(azepane-1-carbonyl)benzoic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c16-13(15-8-3-1-2-4-9-15)11-6-5-7-12(10-11)14(17)18/h5-7,10H,1-4,8-9H2,(H,17,18)