methyl 4-[(2-oxidanylideneazocan-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(2-oxidanylideneazocan-1-yl)methyl]benzoate Openeye Name: methyl 4-[(2-oxoazocan-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-azocanyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-oxoazocan-1-yl)methyl]benzoate Traditional Name: 4-[(2-ketoazocan-1-yl)methyl]benzoic acid methyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCCCCC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCCCCC2=O

InChI

InChI=1S/C16H21NO3/c1-20-16(19)14-9-7-13(8-10-14)12-17-11-5-3-2-4-6-15(17)18/h7-10H,2-6,11-12H2,1H3