(phenylmethyl) 5-(4-fluorophenyl)-2-phenyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate

Systemtic Name: (phenylmethyl) 5-(4-fluorophenyl)-2-phenyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Openeye Name: benzyl 5-(4-fluorophenyl)-2-phenyl-4-(4-pyridyl)-1H-pyrrole-3-carboxylate CAS Name: 5-(4-fluorophenyl)-2-phenyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(4-fluorophenyl)-2-phenyl-4-pyridin-4-yl-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-fluorophenyl)-2-phenyl-4-(4-pyridyl)-1H-pyrrole-3-carboxylic acid benzyl ester Formula: C29H21FN2O2 MolecularWeight: 448.487643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C29H21FN2O2/c30-24-13-11-23(12-14-24)27-25(21-15-17-31-18-16-21)26(28(32-27)22-9-5-2-6-10-22)29(33)34-19-20-7-3-1-4-8-20/h1-18,32H,19H2