4-(2-oxidanylideneazepan-1-yl)benzoic acid

Systemtic Name: 4-(2-oxidanylideneazepan-1-yl)benzoic acid Openeye Name: 4-(2-oxoazepan-1-yl)benzoic acid CAS Name: 4-(2-oxo-1-azepanyl)benzoic acid IUPAC Name: 4-(2-oxoazepan-1-yl)benzoic acid Traditional Name: 4-(2-ketoazepan-1-yl)benzoic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c15-12-4-2-1-3-9-14(12)11-7-5-10(6-8-11)13(16)17/h5-8H,1-4,9H2,(H,16,17)