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

Systemtic Name: (phenylmethyl) 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4-methylsulfonyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-methylsulfonyl-pyrrolidine-1-carboxylate CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylsulfonyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylsulfonylpyrrolidine-1-carboxylate Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-mesyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO6S/c1-30-22-13-12-19(14-23(22)32-20-10-6-7-11-20)21-15-26(16-24(21)33(2,28)29)25(27)31-17-18-8-4-3-5-9-18/h3-5,8-9,12-14,20-21,24H,6-7,10-11,15-17H2,1-2H3