(phenylmethyl) 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-pyrrol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrrol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-pyrrol-2-yl]piperidine-1-carboxylic acid benzyl ester Formula: C28H26FN3O2 MolecularWeight: 455.523343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=CC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C28H26FN3O2/c29-24-8-6-21(7-9-24)25-18-26(31-27(25)23-10-14-30-15-11-23)22-12-16-32(17-13-22)28(33)34-19-20-4-2-1-3-5-20/h1-11,14-15,18,22,31H,12-13,16-17,19H2