2-[4-(3-methoxyphenyl)hepta-1,6-dien-4-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-(3-methoxyphenyl)hepta-1,6-dien-4-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[1-allyl-1-(3-methoxyphenyl)but-3-enyl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-(3-methoxyphenyl)hepta-1,6-dien-4-yl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(3-methoxyphenyl)hepta-1,6-dien-4-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[1-allyl-1-(3-methoxyphenyl)but-3-enyl]pyrimidine-5-carboxylic acid Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CC=C)(CC=C)C2=NC=C(C=N2)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(CC=C)(CC=C)C2=NC=C(C=N2)C(=O)O

InChI

InChI=1S/C19H20N2O3/c1-4-9-19(10-5-2,15-7-6-8-16(11-15)24-3)18-20-12-14(13-21-18)17(22)23/h4-8,11-13H,1-2,9-10H2,3H3,(H,22,23)