ethyl N-[N-[1-[(1-cyano-4-phenyl-butyl)amino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]-C-phenyl-carbonimidoyl]carbamate

Systemtic Name: ethyl N-[N-[1-[(1-cyano-4-phenyl-butyl)amino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]-C-phenyl-carbonimidoyl]carbamate Openeye Name: ethyl N-[N-[1-[(1-cyano-4-phenyl-butyl)carbamoyl]-3,3-dimethyl-butyl]-C-phenyl-carbonimidoyl]carbamate CAS Name: N-[[1-[(1-cyano-4-phenylbutyl)amino]-4,4-dimethyl-1-oxopentan-2-yl]imino-phenylmethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[N-[1-[(1-cyano-4-phenylbutyl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-phenylcarbonimidoyl]carbamate Traditional Name: N-[N-[1-[(1-cyano-4-phenyl-butyl)carbamoyl]-3,3-dimethyl-butyl]-C-phenyl-carbonimidoyl]carbamic acid ethyl ester Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=NC(CC(C)(C)C)C(=O)NC(CCCC1=CC=CC=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)NC(=NC(CC(C)(C)C)C(=O)NC(CCCC1=CC=CC=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C28H36N4O3/c1-5-35-27(34)32-25(22-16-10-7-11-17-22)31-24(19-28(2,3)4)26(33)30-23(20-29)18-12-15-21-13-8-6-9-14-21/h6-11,13-14,16-17,23-24H,5,12,15,18-19H2,1-4H3,(H,30,33)(H,31,32,34)