tert-butyl N-[[4-(acetamidomethyl)phenyl]methyl-(azepan-1-ylcarbonyl)amino]carbamate

Systemtic Name: tert-butyl N-[[4-(acetamidomethyl)phenyl]methyl-(azepan-1-ylcarbonyl)amino]carbamate Openeye Name: tert-butyl N-[[4-(acetamidomethyl)phenyl]methyl-(azepane-1-carbonyl)amino]carbamate CAS Name: N-[[4-(acetamidomethyl)phenyl]methyl-[1-azepanyl(oxo)methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(acetamidomethyl)phenyl]methyl-(azepane-1-carbonyl)amino]carbamate Traditional Name: N-[[4-(acetamidomethyl)benzyl]-(azepane-1-carbonyl)amino]carbamic acid tert-butyl ester Formula: C22H34N4O4 MolecularWeight: 418.52976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)CN(C(=O)N2CCCCCC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)CN(C(=O)N2CCCCCC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H34N4O4/c1-17(27)23-15-18-9-11-19(12-10-18)16-26(24-20(28)30-22(2,3)4)21(29)25-13-7-5-6-8-14-25/h9-12H,5-8,13-16H2,1-4H3,(H,23,27)(H,24,28)