2-(2-oxidanylideneazepan-1-yl)benzoic acid

Systemtic Name: 2-(2-oxidanylideneazepan-1-yl)benzoic acid Openeye Name: 2-(2-oxoazepan-1-yl)benzoic acid CAS Name: 2-(2-oxo-1-azepanyl)benzoic acid IUPAC Name: 2-(2-oxoazepan-1-yl)benzoic acid Traditional Name: 2-(2-ketoazepan-1-yl)benzoic acid Formula: C13H15NO3 MolecularWeight: 233.2631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CCC(=O)N(CC1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H15NO3/c15-12-8-2-1-5-9-14(12)11-7-4-3-6-10(11)13(16)17/h3-4,6-7H,1-2,5,8-9H2,(H,16,17)