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

Systemtic Name: ethyl 4-(chloromethyl)-3-methyl-2-oxidanylidene-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(chloromethyl)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-(chloromethyl)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(chloromethyl)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-(chloromethyl)-2-keto-3-methyl-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)C)CCl

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)OC3=CC=CC=C3)C)CCl

InChI

InChI=1S/C21H21ClN2O4/c1-3-27-20(25)18-17(13-22)24(2)21(26)23-19(18)14-8-7-11-16(12-14)28-15-9-5-4-6-10-15/h4-12,19H,3,13H2,1-2H3,(H,23,26)