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

Systemtic Name: 3-[(2-oxidanylideneazocan-1-yl)methyl]benzoic acid Openeye Name: 3-[(2-oxoazocan-1-yl)methyl]benzoic acid CAS Name: 3-[(2-oxo-1-azocanyl)methyl]benzoic acid IUPAC Name: 3-[(2-oxoazocan-1-yl)methyl]benzoic acid Traditional Name: 3-[(2-ketoazocan-1-yl)methyl]benzoic acid Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(C(=O)CC1)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1CCCN(C(=O)CC1)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H19NO3/c17-14-8-3-1-2-4-9-16(14)11-12-6-5-7-13(10-12)15(18)19/h5-7,10H,1-4,8-9,11H2,(H,18,19)