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

Systemtic Name: tert-butyl N-[4-(2-cyanoethylamino)-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-3-(2-cyanoethylamino)-2-hydroxy-propyl]carbamate CAS Name: N-[4-(2-cyanoethylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2-cyanoethylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-(2-cyanoethylamino)-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CNCCC#N)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CNCCC#N)O

InChI

InChI=1S/C18H27N3O3/c1-18(2,3)24-17(23)21-15(12-14-8-5-4-6-9-14)16(22)13-20-11-7-10-19/h4-6,8-9,15-16,20,22H,7,11-13H2,1-3H3,(H,21,23)