methyl 4-[[(2-oxidanylideneazepan-3-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-oxidanylideneazepan-3-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(2-oxoazepan-3-yl)amino]methyl]benzoate CAS Name: 4-[[(2-oxo-3-azepanyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-oxoazepan-3-yl)amino]methyl]benzoate Traditional Name: 4-[[(2-ketoazepan-3-yl)amino]methyl]benzoic acid methyl ester Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2CCCCNC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2CCCCNC2=O

InChI

InChI=1S/C15H20N2O3/c1-20-15(19)12-7-5-11(6-8-12)10-17-13-4-2-3-9-16-14(13)18/h5-8,13,17H,2-4,9-10H2,1H3,(H,16,18)