ethyl 3-[1-(4-iodanyl-2-methyl-phenyl)-5-phenyl-pyrazol-3-yl]propanoate

Systemtic Name: ethyl 3-[1-(4-iodanyl-2-methyl-phenyl)-5-phenyl-pyrazol-3-yl]propanoate Openeye Name: ethyl 3-[1-(4-iodo-2-methyl-phenyl)-5-phenyl-pyrazol-3-yl]propanoate CAS Name: 3-[1-(4-iodo-2-methylphenyl)-5-phenyl-3-pyrazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(4-iodo-2-methylphenyl)-5-phenylpyrazol-3-yl]propanoate Traditional Name: 3-[1-(4-iodo-2-methyl-phenyl)-5-phenyl-pyrazol-3-yl]propionic acid ethyl ester Formula: C21H21IN2O2 MolecularWeight: 460.30811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NN(C(=C1)C2=CC=CC=C2)C3=C(C=C(C=C3)I)C

Isomeric SMILES

CCOC(=O)CCC1=NN(C(=C1)C2=CC=CC=C2)C3=C(C=C(C=C3)I)C

InChI

InChI=1S/C21H21IN2O2/c1-3-26-21(25)12-10-18-14-20(16-7-5-4-6-8-16)24(23-18)19-11-9-17(22)13-15(19)2/h4-9,11,13-14H,3,10,12H2,1-2H3