2-(4-butoxyphenyl)-4-chloranyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-butoxyphenyl)-4-chloranyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-butoxyphenyl)-4-chloro-pyrimidine-5-carboxylic acid CAS Name: 2-(4-butoxyphenyl)-4-chloro-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-butoxyphenyl)-4-chloropyrimidine-5-carboxylic acid Traditional Name: 2-(4-butoxyphenyl)-4-chloro-pyrimidine-5-carboxylic acid Formula: C15H15ClN2O3 MolecularWeight: 306.7442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C(=O)O

InChI

InChI=1S/C15H15ClN2O3/c1-2-3-8-21-11-6-4-10(5-7-11)14-17-9-12(15(19)20)13(16)18-14/h4-7,9H,2-3,8H2,1H3,(H,19,20)