methyl 6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(3-ethoxy-4-oxidanyl-phenyl)-4-methyl-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-allyl-6-(3-ethoxy-4-hydroxy-phenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-ethoxy-4-hydroxyphenyl)-4-methyl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3-ethoxy-4-hydroxy-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=O)N2)CC=C)C)C(=O)OC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=O)N2)CC=C)C)C(=O)OC)O

InChI

InChI=1S/C18H22N2O5/c1-5-9-20-11(3)15(17(22)24-4)16(19-18(20)23)12-7-8-13(21)14(10-12)25-6-2/h5,7-8,10,16,21H,1,6,9H2,2-4H3,(H,19,23)