ethyl (4S)-6-[[2-(3-chloranylphenoxy)ethyl-methyl-amino]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[[2-(3-chloranylphenoxy)ethyl-methyl-amino]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[2-(3-chlorophenoxy)ethyl-methyl-amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[2-(3-chlorophenoxy)ethyl-methylamino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[2-(3-chlorophenoxy)ethyl-methyl-amino]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H26ClN3O4 MolecularWeight: 395.88044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN(C)CCOC2=CC(=CC=C2)Cl)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN(C)CCOC2=CC(=CC=C2)Cl)C(=O)OCC

InChI

InChI=1S/C19H26ClN3O4/c1-4-15-17(18(24)26-5-2)16(22-19(25)21-15)12-23(3)9-10-27-14-8-6-7-13(20)11-14/h6-8,11,15H,4-5,9-10,12H2,1-3H3,(H2,21,22,25)/t15-/m0/s1