methyl 4-[[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[2-(2-oxoazepan-1-yl)acetyl]amino]carbamoyl]benzoate CAS Name: 4-[oxo-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2-oxoazepan-1-yl)acetyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[2-(2-ketoazepan-1-yl)acetyl]amino]carbamoyl]benzoic acid methyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)CN2CCCCCC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C17H21N3O5/c1-25-17(24)13-8-6-12(7-9-13)16(23)19-18-14(21)11-20-10-4-2-3-5-15(20)22/h6-9H,2-5,10-11H2,1H3,(H,18,21)(H,19,23)