ethyl [4-[(7-oxidanylideneazepan-2-yl)carbamoyl]phenyl] carbonate

Systemtic Name: ethyl [4-[(7-oxidanylideneazepan-2-yl)carbamoyl]phenyl] carbonate Openeye Name: ethyl [4-[(7-oxoazepan-2-yl)carbamoyl]phenyl] carbonate CAS Name: carbonic acid ethyl [4-[oxo-[(7-oxo-2-azepanyl)amino]methyl]phenyl] ester IUPAC Name: ethyl [4-[(7-oxoazepan-2-yl)carbamoyl]phenyl] carbonate Traditional Name: carbonic acid ethyl [4-[(7-ketoazepan-2-yl)carbamoyl]phenyl] ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=CC=C(C=C1)C(=O)NC2CCCCC(=O)N2

Isomeric SMILES

CCOC(=O)OC1=CC=C(C=C1)C(=O)NC2CCCCC(=O)N2

InChI

InChI=1S/C16H20N2O5/c1-2-22-16(21)23-12-9-7-11(8-10-12)15(20)18-13-5-3-4-6-14(19)17-13/h7-10,13H,2-6H2,1H3,(H,17,19)(H,18,20)