ethyl 6-(2,4-dimethylphenyl)-3-methyl-2-oxidanylidene-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(2,4-dimethylphenyl)-3-methyl-2-oxidanylidene-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2,4-dimethylphenyl)-3-methyl-2-oxo-4-(1-piperidylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,4-dimethylphenyl)-3-methyl-2-oxo-4-(1-piperidinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,4-dimethylphenyl)-3-methyl-2-oxo-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2,4-dimethylphenyl)-2-keto-3-methyl-4-(piperidinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=C(C=C2)C)C)C)CN3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=C(C=C2)C)C)C)CN3CCCCC3

InChI

InChI=1S/C22H31N3O3/c1-5-28-21(26)19-18(14-25-11-7-6-8-12-25)24(4)22(27)23-20(19)17-10-9-15(2)13-16(17)3/h9-10,13,20H,5-8,11-12,14H2,1-4H3,(H,23,27)