tert-butyl N-[[3-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[[cyano(methyl)carbamoyl]-isopentyl-carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[3-[[[[cyano(methyl)amino]-oxomethyl]-(3-methylbutyl)amino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[[cyano(methyl)carbamoyl]-(3-methylbutyl)carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[3-[[cyano(methyl)carbamoyl]-isoamyl-carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(=O)C1=CC(=CC=C1)CNC(=O)OC(C)(C)C)C(=O)N(C)C#N

Isomeric SMILES

CC(C)CCN(C(=O)C1=CC(=CC=C1)CNC(=O)OC(C)(C)C)C(=O)N(C)C#N

InChI

InChI=1S/C21H30N4O4/c1-15(2)10-11-25(20(28)24(6)14-22)18(26)17-9-7-8-16(12-17)13-23-19(27)29-21(3,4)5/h7-9,12,15H,10-11,13H2,1-6H3,(H,23,27)