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

Systemtic Name: ethyl 6-(4-methylphenyl)-2-oxidanylidene-4-(piperidin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-2-oxo-4-(1-piperidylmethyl)-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-methylphenyl)-2-oxo-4-(1-piperidinylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-methylphenyl)-2-oxo-4-(piperidin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-2-keto-4-(piperidinomethyl)-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-4-13-26-19(16-25-14-7-6-8-15-25)20(22(27)29-5-2)21(24-23(26)28)18-11-9-17(3)10-12-18/h4,9-12,21H,1,5-8,13-16H2,2-3H3,(H,24,28)