1-phenylethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: 1-phenylethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: 1-phenylethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid 1-phenylethyl ester Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N2O2/c1-14-13-15(2)22(21-14)19-11-9-18(10-12-19)20(23)24-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3