(4-pyrazol-1-ylphenyl)methyl 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(2-furfuryl)-2,5-dimethyl-pyrrole-3-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H21N3O3/c1-16-13-21(17(2)24(16)14-20-5-3-12-27-20)22(26)28-15-18-6-8-19(9-7-18)25-11-4-10-23-25/h3-13H,14-15H2,1-2H3