ethyl 2-oxidanylidene-6-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-6-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[1-oxo-2-(2-oxo-1-azepanyl)ethoxy]methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[2-(2-ketoazepan-1-yl)acetyl]oxymethyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)CN3CCCCCC3=O

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)COC(=O)CN3CCCCCC3=O

InChI

InChI=1S/C22H27N3O6/c1-2-30-21(28)19-16(23-22(29)24-20(19)15-9-5-3-6-10-15)14-31-18(27)13-25-12-8-4-7-11-17(25)26/h3,5-6,9-10,20H,2,4,7-8,11-14H2,1H3,(H2,23,24,29)