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

Systemtic Name: ethyl (4S)-4-ethyl-6-[4-(1H-indol-3-yl)butanoyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[4-(1H-indol-3-yl)butanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[4-(1H-indol-3-yl)-1-oxobutoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[4-(1H-indol-3-yl)butanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-6-[4-(1H-indol-3-yl)butanoyloxymethyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CCCC2=CNC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CCCC2=CNC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C22H27N3O5/c1-3-16-20(21(27)29-4-2)18(25-22(28)24-16)13-30-19(26)11-7-8-14-12-23-17-10-6-5-9-15(14)17/h5-6,9-10,12,16,23H,3-4,7-8,11,13H2,1-2H3,(H2,24,25,28)/t16-/m0/s1