(4-chlorophenyl) 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate

Systemtic Name: (4-chlorophenyl) 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate Openeye Name: (4-chlorophenyl) 4-[4-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate CAS Name: 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1-pyrazolyl]benzoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate Traditional Name: 4-[4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid (4-chlorophenyl) ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Cl)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)Cl)C)CCC(=O)OC

InChI

InChI=1S/C22H21ClN2O4/c1-14-20(12-13-21(26)28-3)15(2)25(24-14)18-8-4-16(5-9-18)22(27)29-19-10-6-17(23)7-11-19/h4-11H,12-13H2,1-3H3