2-[1-(3-methoxyphenyl)but-3-enyl]-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[1-(3-methoxyphenyl)but-3-enyl]-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-allyl-2-[1-(3-methoxyphenyl)but-3-enyl]-4H-pyrimidine-5-carboxylic acid CAS Name: 2-[1-(3-methoxyphenyl)but-3-enyl]-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[1-(3-methoxyphenyl)but-3-enyl]-3-prop-2-enyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-allyl-2-[1-(3-methoxyphenyl)but-3-enyl]-4H-pyrimidine-5-carboxylic acid Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CC=C)C2=NC=C(CN2CC=C)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(CC=C)C2=NC=C(CN2CC=C)C(=O)O

InChI

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