phenethyl 2-chloranyl-5-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: phenethyl 2-chloranyl-5-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: phenethyl 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 2-chloro-5-(3,5-dimethyl-1-pyrazolyl)benzoic acid phenethyl ester IUPAC Name: phenethyl 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoic acid phenethyl ester Formula: C20H19ClN2O2 MolecularWeight: 354.83006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC(=C(C=C2)Cl)C(=O)OCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=CC(=C(C=C2)Cl)C(=O)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C20H19ClN2O2/c1-14-12-15(2)23(22-14)17-8-9-19(21)18(13-17)20(24)25-11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11H2,1-2H3