ethyl 5-iodanyl-2-[(4-methoxyphenyl)methyl]-4-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-iodanyl-2-[(4-methoxyphenyl)methyl]-4-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-benzyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate CAS Name: 5-iodo-2-[(4-methoxyphenyl)methyl]-4-(phenylmethyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-5-iodo-2-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate Traditional Name: 4-benzyl-5-iodo-2-p-anisyl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H21IN2O3 MolecularWeight: 476.30751

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1CC2=CC=C(C=C2)OC)I)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1CC2=CC=C(C=C2)OC)I)CC3=CC=CC=C3

InChI

InChI=1S/C21H21IN2O3/c1-3-27-21(25)19-18(13-15-7-5-4-6-8-15)20(22)23-24(19)14-16-9-11-17(26-2)12-10-16/h4-12H,3,13-14H2,1-2H3