(phenylmethyl) 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(trifluoromethylsulfonyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(trifluoromethylsulfonyl)pyrrolidine-1-carboxylate Openeye Name: benzyl 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(trifluoromethylsulfonyl)pyrrolidine-1-carboxylate CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethylsulfonyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethylsulfonyl)pyrrolidine-1-carboxylate Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-triflyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H28F3NO6S MolecularWeight: 527.55313

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CN(CC2S(=O)(=O)C(F)(F)F)C(=O)OCC3=CC=CC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2CN(CC2S(=O)(=O)C(F)(F)F)C(=O)OCC3=CC=CC=C3)OC4CCCC4

InChI

InChI=1S/C25H28F3NO6S/c1-33-21-12-11-18(13-22(21)35-19-9-5-6-10-19)20-14-29(15-23(20)36(31,32)25(26,27)28)24(30)34-16-17-7-3-2-4-8-17/h2-4,7-8,11-13,19-20,23H,5-6,9-10,14-16H2,1H3