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4-[(2-butyl-6-chloranyl-5-ethyl-pyrimidin-4-yl)methyl]benzoic acid

4-[(2-butyl-6-chloranyl-5-ethyl-pyrimidin-4-yl)methyl]benzoic acid

Systemtic Name:4-[(2-butyl-6-chloranyl-5-ethyl-pyrimidin-4-yl)methyl]benzoic acid
Openeye Name:4-[(2-butyl-6-chloro-5-ethyl-pyrimidin-4-yl)methyl]benzoic acid
CAS Name:4-[(2-butyl-6-chloro-5-ethyl-4-pyrimidinyl)methyl]benzoic acid
IUPAC Name:4-[(2-butyl-6-chloro-5-ethylpyrimidin-4-yl)methyl]benzoic acid
Traditional Name:4-[(2-butyl-6-chloro-5-ethyl-pyrimidin-4-yl)methyl]benzoic acid
Formula: C18H21ClN2O2
MolecularWeight: 332.82454
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C(=N1)Cl)CC)CC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

CCCCC1=NC(=C(C(=N1)Cl)CC)CC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C18H21ClN2O2/c1-3-5-6-16-20-15(14(4-2)17(19)21-16)11-12-7-9-13(10-8-12)18(22)23/h7-10H,3-6,11H2,1-2H3,(H,22,23)


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