ethyl 4-[[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]carbamoyl]-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]carbamoyl]-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[[(1E)-1-[cyano-(4-phenylphenyl)methylene]-2,2-dimethyl-propyl]carbamoyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]amino]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]carbamoyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[[(E)-1-tert-butyl-2-cyano-2-(4-phenylphenyl)vinyl]carbamoyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)NC(=C(C#N)C2=CC=C(C=C2)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N/C(=C(/C#N)\C2=CC=C(C=C2)C3=CC=CC=C3)/C(C)(C)C

InChI

InChI=1S/C29H30N4O3/c1-7-36-28(35)24-18(2)31-19(3)32-25(24)27(34)33-26(29(4,5)6)23(17-30)22-15-13-21(14-16-22)20-11-9-8-10-12-20/h8-16H,7H2,1-6H3,(H,33,34)/b26-23-