ethyl N-[N-[1-[(1-cyano-3-phenyl-propyl)amino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]-C-phenyl-carbonimidoyl]carbamate

Systemtic Name: ethyl N-[N-[1-[(1-cyano-3-phenyl-propyl)amino]-4,4-dimethyl-1-oxidanylidene-pentan-2-yl]-C-phenyl-carbonimidoyl]carbamate Openeye Name: ethyl N-[N-[1-[(1-cyano-3-phenyl-propyl)carbamoyl]-3,3-dimethyl-butyl]-C-phenyl-carbonimidoyl]carbamate CAS Name: N-[[1-[(1-cyano-3-phenylpropyl)amino]-4,4-dimethyl-1-oxopentan-2-yl]imino-phenylmethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[N-[1-[(1-cyano-3-phenylpropyl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-phenylcarbonimidoyl]carbamate Traditional Name: N-[N-[1-[(1-cyano-3-phenyl-propyl)carbamoyl]-3,3-dimethyl-butyl]-C-phenyl-carbonimidoyl]carbamic acid ethyl ester Formula: C27H34N4O3 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=NC(CC(C)(C)C)C(=O)NC(CCC1=CC=CC=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)NC(=NC(CC(C)(C)C)C(=O)NC(CCC1=CC=CC=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C27H34N4O3/c1-5-34-26(33)31-24(21-14-10-7-11-15-21)30-23(18-27(2,3)4)25(32)29-22(19-28)17-16-20-12-8-6-9-13-20/h6-15,22-23H,5,16-18H2,1-4H3,(H,29,32)(H,30,31,33)