tert-butyl N-[1-(cyanomethylamino)-3-(3,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(cyanomethylamino)-3-(3,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-(cyanomethylamino)-1-[(3,5-dimethylphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-(cyanomethylamino)-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(cyanomethylamino)-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-(cyanomethylamino)-1-(3,5-dimethylbenzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3/c1-12-8-13(2)10-14(9-12)11-15(16(22)20-7-6-19)21-17(23)24-18(3,4)5/h8-10,15H,7,11H2,1-5H3,(H,20,22)(H,21,23)