(phenylmethyl) 4-[4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[4-(4-pyridyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-pyridyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]piperidine-1-carboxylic acid benzyl ester Formula: C29H26F3N3O2 MolecularWeight: 505.53085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26F3N3O2/c30-29(31,32)24-8-4-7-23(17-24)27-25(21-9-13-33-14-10-21)18-26(34-27)22-11-15-35(16-12-22)28(36)37-19-20-5-2-1-3-6-20/h1-10,13-14,17-18,22,34H,11-12,15-16,19H2