(phenylmethyl) 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenyl-pyrrolidine-1-carboxylate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-phenyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidine-1-carboxylate Traditional Name: 3-[[4-(4-fluorophenyl)piperazino]methyl]-4-phenyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C29H32FN3O2 MolecularWeight: 473.581683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2CN(CC2C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CC2CN(CC2C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H32FN3O2/c30-26-11-13-27(14-12-26)32-17-15-31(16-18-32)19-25-20-33(21-28(25)24-9-5-2-6-10-24)29(34)35-22-23-7-3-1-4-8-23/h1-14,25,28H,15-22H2