oxan-4-yl N-[N-[1-(cyanomethylamino)-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]-C-phenyl-carbonimidoyl]carbamate

Systemtic Name: oxan-4-yl N-[N-[1-(cyanomethylamino)-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]-C-phenyl-carbonimidoyl]carbamate Openeye Name: tetrahydropyran-4-yl N-[N-[1-(cyanomethylcarbamoyl)-3,3-dimethyl-butyl]-C-phenyl-carbonimidoyl]carbamate CAS Name: N-[[1-(cyanomethylamino)-4,4-dimethyl-1-oxopentan-2-yl]imino-phenylmethyl]carbamic acid 4-oxanyl ester IUPAC Name: oxan-4-yl N-[N-[1-(cyanomethylamino)-4,4-dimethyl-1-oxopentan-2-yl]-C-phenylcarbonimidoyl]carbamate Traditional Name: N-[N-[1-(cyanomethylcarbamoyl)-3,3-dimethyl-butyl]-C-phenyl-carbonimidoyl]carbamic acid tetrahydropyran-4-yl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)NCC#N)N=C(C1=CC=CC=C1)NC(=O)OC2CCOCC2

Isomeric SMILES

CC(C)(C)CC(C(=O)NCC#N)N=C(C1=CC=CC=C1)NC(=O)OC2CCOCC2

InChI

InChI=1S/C22H30N4O4/c1-22(2,3)15-18(20(27)24-12-11-23)25-19(16-7-5-4-6-8-16)26-21(28)30-17-9-13-29-14-10-17/h4-8,17-18H,9-10,12-15H2,1-3H3,(H,24,27)(H,25,26,28)