(2,3,6-trimethylphenyl) 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate Openeye Name: (2,3,6-trimethylphenyl) 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 (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 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 (2,3,6-trimethylphenyl) ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)CCC(=O)OC)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)CCC(=O)OC)C)C

InChI

InChI=1S/C25H28N2O4/c1-15-7-8-16(2)24(17(15)3)31-25(29)20-9-11-21(12-10-20)27-19(5)22(18(4)26-27)13-14-23(28)30-6/h7-12H,13-14H2,1-6H3