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

Systemtic Name: ethyl 6-(3-chlorophenyl)-2-oxidanylidene-3-prop-2-enyl-4-(pyrrolidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(3-chlorophenyl)-2-oxo-4-(pyrrolidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chlorophenyl)-2-oxo-3-prop-2-enyl-4-(1-pyrrolidinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-chlorophenyl)-2-oxo-3-prop-2-enyl-4-(pyrrolidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3-chlorophenyl)-2-keto-4-(pyrrolidinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Cl)CC=C)CN3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Cl)CC=C)CN3CCCC3

InChI

InChI=1S/C21H26ClN3O3/c1-3-10-25-17(14-24-11-5-6-12-24)18(20(26)28-4-2)19(23-21(25)27)15-8-7-9-16(22)13-15/h3,7-9,13,19H,1,4-6,10-12,14H2,2H3,(H,23,27)