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

Systemtic Name: 4-chloranyl-2-(4-heptylphenyl)pyrimidine-5-carboxylic acid Openeye Name: 4-chloro-2-(4-heptylphenyl)pyrimidine-5-carboxylic acid CAS Name: 4-chloro-2-(4-heptylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 4-chloro-2-(4-heptylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 4-chloro-2-(4-heptylphenyl)pyrimidine-5-carboxylic acid Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C(=O)O

InChI

InChI=1S/C18H21ClN2O2/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)17-20-12-15(18(22)23)16(19)21-17/h8-12H,2-7H2,1H3,(H,22,23)