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

Systemtic Name: (phenylmethyl) 4-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrrol-2-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[5-(4-fluorophenyl)-4-(4-quinolyl)-1H-pyrrol-2-yl]piperidine-1-carboxylate CAS Name: 4-[5-(4-fluorophenyl)-4-(4-quinolinyl)-1H-pyrrol-2-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrrol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(4-fluorophenyl)-4-(4-quinolyl)-1H-pyrrol-2-yl]piperidine-1-carboxylic acid benzyl ester Formula: C32H28FN3O2 MolecularWeight: 505.582023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=C(N2)C3=CC=C(C=C3)F)C4=CC=NC5=CC=CC=C45)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1C2=CC(=C(N2)C3=CC=C(C=C3)F)C4=CC=NC5=CC=CC=C45)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C32H28FN3O2/c33-25-12-10-24(11-13-25)31-28(26-14-17-34-29-9-5-4-8-27(26)29)20-30(35-31)23-15-18-36(19-16-23)32(37)38-21-22-6-2-1-3-7-22/h1-14,17,20,23,35H,15-16,18-19,21H2