ethyl 4-(chloromethyl)-3-methyl-2-oxidanylidene-6-(3-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(chloromethyl)-3-methyl-2-oxidanylidene-6-(3-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-benzyloxyphenyl)-4-(chloromethyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(chloromethyl)-3-methyl-2-oxo-6-(3-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(chloromethyl)-3-methyl-2-oxo-6-(3-phenylmethoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-benzoxyphenyl)-4-(chloromethyl)-2-keto-3-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OCC3=CC=CC=C3)C)CCl

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OCC3=CC=CC=C3)C)CCl

InChI

InChI=1S/C22H23ClN2O4/c1-3-28-21(26)19-18(13-23)25(2)22(27)24-20(19)16-10-7-11-17(12-16)29-14-15-8-5-4-6-9-15/h4-12,20H,3,13-14H2,1-2H3,(H,24,27)