tert-butyl N-[4-[[1-(2-cyanoethyl)cyclohexyl]methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-[[1-(2-cyanoethyl)cyclohexyl]methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-3-[[1-(2-cyanoethyl)cyclohexyl]methylamino]-2-hydroxy-propyl]carbamate CAS Name: N-[4-[[1-(2-cyanoethyl)cyclohexyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[1-(2-cyanoethyl)cyclohexyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-[[1-(2-cyanoethyl)cyclohexyl]methylamino]-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C25H39N3O3 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CNCC2(CCCCC2)CCC#N)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CNCC2(CCCCC2)CCC#N)O

InChI

InChI=1S/C25H39N3O3/c1-24(2,3)31-23(30)28-21(17-20-11-6-4-7-12-20)22(29)18-27-19-25(15-10-16-26)13-8-5-9-14-25/h4,6-7,11-12,21-22,27,29H,5,8-10,13-15,17-19H2,1-3H3,(H,28,30)