2-[4-(2-butyl-6-chloranyl-5-ethoxycarbonyl-pyrimidin-4-yl)phenyl]benzoic acid

Systemtic Name: 2-[4-(2-butyl-6-chloranyl-5-ethoxycarbonyl-pyrimidin-4-yl)phenyl]benzoic acid Openeye Name: 2-[4-(2-butyl-6-chloro-5-ethoxycarbonyl-pyrimidin-4-yl)phenyl]benzoic acid CAS Name: 2-[4-(2-butyl-6-chloro-5-ethoxycarbonyl-4-pyrimidinyl)phenyl]benzoic acid IUPAC Name: 2-[4-(2-butyl-6-chloro-5-ethoxycarbonylpyrimidin-4-yl)phenyl]benzoic acid Traditional Name: 2-[4-(2-butyl-5-carbethoxy-6-chloro-pyrimidin-4-yl)phenyl]benzoic acid Formula: C24H23ClN2O4 MolecularWeight: 438.90342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(=N1)Cl)C(=O)OCC)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=NC(=C(C(=N1)Cl)C(=O)OCC)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H23ClN2O4/c1-3-5-10-19-26-21(20(22(25)27-19)24(30)31-4-2)16-13-11-15(12-14-16)17-8-6-7-9-18(17)23(28)29/h6-9,11-14H,3-5,10H2,1-2H3,(H,28,29)