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

Systemtic Name: (phenylmethyl) 4-[3-ethoxycarbonyl-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[3-ethoxycarbonyl-4-(4-pyridyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]piperidine-1-carboxylate CAS Name: 4-[3-ethoxycarbonyl-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-ethoxycarbonyl-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[3-carbethoxy-4-(4-pyridyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]piperidine-1-carboxylic acid benzyl ester Formula: C32H30F3N3O4 MolecularWeight: 577.59351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=NC=C2)C3=CC(=CC=C3)C(F)(F)F)C4CCN(CC4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=NC=C2)C3=CC(=CC=C3)C(F)(F)F)C4CCN(CC4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H30F3N3O4/c1-2-41-30(39)27-26(22-11-15-36-16-12-22)29(24-9-6-10-25(19-24)32(33,34)35)37-28(27)23-13-17-38(18-14-23)31(40)42-20-21-7-4-3-5-8-21/h3-12,15-16,19,23,37H,2,13-14,17-18,20H2,1H3