tert-butyl N-[3-[3-(aminomethyl)-5-methyl-phenyl]-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-[3-(aminomethyl)-5-methyl-phenyl]-1-(cyanomethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[3-(aminomethyl)-5-methyl-phenyl]methyl]-2-(cyanomethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[3-[3-(aminomethyl)-5-methylphenyl]-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[3-(aminomethyl)-5-methylphenyl]-1-(cyanomethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[3-(aminomethyl)-5-methyl-benzyl]-2-(cyanomethylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3/c1-12-7-13(9-14(8-12)11-20)10-15(16(23)21-6-5-19)22-17(24)25-18(2,3)4/h7-9,15H,6,10-11,20H2,1-4H3,(H,21,23)(H,22,24)