tert-butyl N-[3-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[3-(2-oxoazepan-1-yl)propylcarbamoyl]phenyl]carbamate CAS Name: N-[3-[oxo-[3-(2-oxo-1-azepanyl)propylamino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[3-(2-oxoazepan-1-yl)propylcarbamoyl]phenyl]carbamate Traditional Name: N-[3-[3-(2-ketoazepan-1-yl)propylcarbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NCCCN2CCCCCC2=O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NCCCN2CCCCCC2=O

InChI

InChI=1S/C21H31N3O4/c1-21(2,3)28-20(27)23-17-10-7-9-16(15-17)19(26)22-12-8-14-24-13-6-4-5-11-18(24)25/h7,9-10,15H,4-6,8,11-14H2,1-3H3,(H,22,26)(H,23,27)