ethyl [4-[(2-oxidanylideneazepan-4-yl)carbamoyl]phenyl] carbonate

Systemtic Name: ethyl [4-[(2-oxidanylideneazepan-4-yl)carbamoyl]phenyl] carbonate Openeye Name: ethyl [4-[(2-oxoazepan-4-yl)carbamoyl]phenyl] carbonate CAS Name: carbonic acid ethyl [4-[oxo-[(2-oxo-4-azepanyl)amino]methyl]phenyl] ester IUPAC Name: ethyl [4-[(2-oxoazepan-4-yl)carbamoyl]phenyl] carbonate Traditional Name: carbonic acid ethyl [4-[(2-ketoazepan-4-yl)carbamoyl]phenyl] ester Formula: C16H20N2O5 MolecularWeight: 320.3404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=CC=C(C=C1)C(=O)NC2CCCNC(=O)C2

Isomeric SMILES

CCOC(=O)OC1=CC=C(C=C1)C(=O)NC2CCCNC(=O)C2

InChI

InChI=1S/C16H20N2O5/c1-2-22-16(21)23-13-7-5-11(6-8-13)15(20)18-12-4-3-9-17-14(19)10-12/h5-8,12H,2-4,9-10H2,1H3,(H,17,19)(H,18,20)