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

Systemtic Name: ethyl 3-ethyl-6-(3-methoxyphenyl)-2-oxidanylidene-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(3-methoxyphenyl)-2-oxo-4-(1-piperidylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-(3-methoxyphenyl)-2-oxo-4-(1-piperidinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-(3-methoxyphenyl)-2-oxo-4-(piperidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-6-(3-methoxyphenyl)-4-(piperidinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC)C(=O)OCC)CN3CCCCC3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC)C(=O)OCC)CN3CCCCC3

InChI

InChI=1S/C22H31N3O4/c1-4-25-18(15-24-12-7-6-8-13-24)19(21(26)29-5-2)20(23-22(25)27)16-10-9-11-17(14-16)28-3/h9-11,14,20H,4-8,12-13,15H2,1-3H3,(H,23,27)