3-[(2-oxidanylideneazepan-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(2-oxidanylideneazepan-1-yl)methyl]benzoic acid Openeye Name: 3-[(2-oxoazepan-1-yl)methyl]benzoic acid CAS Name: 3-[(2-oxo-1-azepanyl)methyl]benzoic acid IUPAC Name: 3-[(2-oxoazepan-1-yl)methyl]benzoic acid Traditional Name: 3-[(2-ketoazepan-1-yl)methyl]benzoic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H17NO3/c16-13-7-2-1-3-8-15(13)10-11-5-4-6-12(9-11)14(17)18/h4-6,9H,1-3,7-8,10H2,(H,17,18)