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

Systemtic Name: ethyl 6-(3,4-dichlorophenyl)-2-oxidanylidene-4-(piperidin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(3,4-dichlorophenyl)-2-oxo-4-(1-piperidylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3,4-dichlorophenyl)-2-oxo-4-(1-piperidinylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3,4-dichlorophenyl)-2-oxo-4-(piperidin-1-ylmethyl)-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3,4-dichlorophenyl)-2-keto-4-(piperidinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H27Cl2N3O3 MolecularWeight: 452.37408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27Cl2N3O3/c1-3-10-27-18(14-26-11-6-5-7-12-26)19(21(28)30-4-2)20(25-22(27)29)15-8-9-16(23)17(24)13-15/h3,8-9,13,20H,1,4-7,10-12,14H2,2H3,(H,25,29)