ethyl 4-(2,4-dimethylphenyl)-2-oxidanylidene-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2,4-dimethylphenyl)-2-oxidanylidene-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(2,4-dimethylphenyl)-2-oxo-6-(1-piperidylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-2-oxo-6-(1-piperidinylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dimethylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)-2-keto-6-(piperidinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3/c1-4-27-20(25)18-17(13-24-10-6-5-7-11-24)22-21(26)23-19(18)16-9-8-14(2)12-15(16)3/h8-9,12,19H,4-7,10-11,13H2,1-3H3,(H2,22,23,26)