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

Systemtic Name: ethyl (4S)-4-(4-methoxyphenyl)-2-oxidanylidene-6-[2-(2-oxidanylideneazepan-1-yl)ethanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-methoxyphenyl)-2-oxo-6-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-methoxyphenyl)-2-oxo-6-[[1-oxo-2-(2-oxo-1-azepanyl)ethoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-methoxyphenyl)-2-oxo-6-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-[[2-(2-ketoazepan-1-yl)acetyl]oxymethyl]-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H29N3O7 MolecularWeight: 459.49226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)OC)COC(=O)CN3CCCCCC3=O

InChI

InChI=1S/C23H29N3O7/c1-3-32-22(29)20-17(14-33-19(28)13-26-12-6-4-5-7-18(26)27)24-23(30)25-21(20)15-8-10-16(31-2)11-9-15/h8-11,21H,3-7,12-14H2,1-2H3,(H2,24,25,30)/t21-/m0/s1