ethyl 4-[[cyclooctyl-[(5-ethoxycarbonyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl]amino]methyl]-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[cyclooctyl-[(5-ethoxycarbonyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl]amino]methyl]-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[[cyclooctyl-[(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl]amino]methyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[[cyclooctyl-[(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl]amino]methyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[cyclooctyl-[(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl]amino]methyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[(5-carbethoxy-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl-cyclooctyl-amino]methyl]-2-keto-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C36H45N5O6 MolecularWeight: 643.7724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1CN(CC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC)C4CCCCCCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1CN(CC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC)C4CCCCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C36H45N5O6/c1-3-46-33(42)29-27(37-35(44)39-31(29)24-16-10-8-11-17-24)22-41(26-20-14-6-5-7-15-21-26)23-28-30(34(43)47-4-2)32(40-36(45)38-28)25-18-12-9-13-19-25/h8-13,16-19,26-27,32H,3-7,14-15,20-23H2,1-2H3,(H2,37,39,44)(H2,38,40,45)