2-but-3-enyl-6-(3-methoxyphenyl)-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-but-3-enyl-6-(3-methoxyphenyl)-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-allyl-2-but-3-enyl-6-(3-methoxyphenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-but-3-enyl-6-(3-methoxyphenyl)-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-but-3-enyl-6-(3-methoxyphenyl)-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-allyl-2-but-3-enyl-6-(3-methoxyphenyl)-4H-pyrimidine-5-carboxylic acid Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(CN(C(=N2)CCC=C)CC=C)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(CN(C(=N2)CCC=C)CC=C)C(=O)O

InChI

InChI=1S/C19H22N2O3/c1-4-6-10-17-20-18(14-8-7-9-15(12-14)24-3)16(19(22)23)13-21(17)11-5-2/h4-5,7-9,12H,1-2,6,10-11,13H2,3H3,(H,22,23)