ethyl 4-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-keto-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC)Cl)O

InChI

InChI=1S/C21H21ClN2O5/c1-3-28-15-11-13(10-14(22)19(15)25)18-16(20(26)29-4-2)17(23-21(27)24-18)12-8-6-5-7-9-12/h5-11,18,25H,3-4H2,1-2H3,(H2,23,24,27)