ethyl (4R)-4-(3-chloranyl-5-ethoxy-4-prop-2-enoxy-phenyl)-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(3-chloranyl-5-ethoxy-4-prop-2-enoxy-phenyl)-2-oxidanylidene-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(4-allyloxy-3-chloro-5-ethoxy-phenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-allyloxy-3-chloro-5-ethoxy-phenyl)-2-keto-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27ClN2O5 MolecularWeight: 422.90248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=O)N1)C2=CC(=C(C(=C2)Cl)OCC=C)OCC)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@H](NC(=O)N1)C2=CC(=C(C(=C2)Cl)OCC=C)OCC)C(=O)OCC

InChI

InChI=1S/C21H27ClN2O5/c1-5-9-15-17(20(25)28-8-4)18(24-21(26)23-15)13-11-14(22)19(29-10-6-2)16(12-13)27-7-3/h6,11-12,18H,2,5,7-10H2,1,3-4H3,(H2,23,24,26)/t18-/m1/s1