3-phenylpropyl 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate

Systemtic Name: 3-phenylpropyl 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate Openeye Name: 3-phenylpropyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoate CAS Name: 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzoate Traditional Name: 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxy-benzoic acid 3-phenylpropyl ester Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)Cl)C(=O)OCCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)Cl)C(=O)OCCCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H21ClN2O5/c1-27-18-14-19(28-2)25-22(24-18)30-17-12-6-11-16(23)20(17)21(26)29-13-7-10-15-8-4-3-5-9-15/h3-6,8-9,11-12,14H,7,10,13H2,1-2H3