ethyl 6-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-benzyl-6-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chloro-5-ethoxy-4-hydroxyphenyl)-4-methyl-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-6-(3-chloro-5-ethoxy-4-hydroxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-6-(3-chloro-5-ethoxy-4-hydroxy-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(N(C(=O)N2)CC3=CC=CC=C3)C)C(=O)OCC)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(N(C(=O)N2)CC3=CC=CC=C3)C)C(=O)OCC)Cl)O

InChI

InChI=1S/C23H25ClN2O5/c1-4-30-18-12-16(11-17(24)21(18)27)20-19(22(28)31-5-2)14(3)26(23(29)25-20)13-15-9-7-6-8-10-15/h6-12,20,27H,4-5,13H2,1-3H3,(H,25,29)