pyridin-2-ylmethyl 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate

Systemtic Name: pyridin-2-ylmethyl 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate Openeye Name: 2-pyridylmethyl 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 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 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 2-pyridylmethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC3=CC=CC=N3)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC3=CC=CC=N3)C)CCC(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-15-20(11-12-21(26)28-3)16(2)25(24-15)19-9-7-17(8-10-19)22(27)29-14-18-6-4-5-13-23-18/h4-10,13H,11-12,14H2,1-3H3