4-[(2-oxidanylideneazocan-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-oxidanylideneazocan-1-yl)methyl]benzoic acid Openeye Name: 4-[(2-oxoazocan-1-yl)methyl]benzoic acid CAS Name: 4-[(2-oxo-1-azocanyl)methyl]benzoic acid IUPAC Name: 4-[(2-oxoazocan-1-yl)methyl]benzoic acid Traditional Name: 4-[(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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c17-14-5-3-1-2-4-10-16(14)11-12-6-8-13(9-7-12)15(18)19/h6-9H,1-5,10-11H2,(H,18,19)