tert-butyl N-[[4-[(2-oxidanylideneazepan-4-yl)carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[(2-oxidanylideneazepan-4-yl)carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[(2-oxoazepan-4-yl)carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[(2-oxo-4-azepanyl)amino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(2-oxoazepan-4-yl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(2-ketoazepan-4-yl)carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2CCCNC(=O)C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NC2CCCNC(=O)C2

InChI

InChI=1S/C19H27N3O4/c1-19(2,3)26-18(25)21-12-13-6-8-14(9-7-13)17(24)22-15-5-4-10-20-16(23)11-15/h6-9,15H,4-5,10-12H2,1-3H3,(H,20,23)(H,21,25)(H,22,24)