(phenylmethyl) 1-[[3-(3-fluorophenyl)-4-methanoyl-pyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[[3-(3-fluorophenyl)-4-methanoyl-pyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate Openeye Name: benzyl 1-[[3-(3-fluorophenyl)-4-formyl-pyrrolidin-1-yl]methyl]cyclohexanecarboxylate CAS Name: 1-[[3-(3-fluorophenyl)-4-formyl-1-pyrrolidinyl]methyl]-1-cyclohexanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[[3-(3-fluorophenyl)-4-formylpyrrolidin-1-yl]methyl]cyclohexane-1-carboxylate Traditional Name: 1-[[3-(3-fluorophenyl)-4-formyl-pyrrolidino]methyl]cyclohexanecarboxylic acid benzyl ester Formula: C26H30FNO3 MolecularWeight: 423.519703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN2CC(C(C2)C3=CC(=CC=C3)F)C=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)(CN2CC(C(C2)C3=CC(=CC=C3)F)C=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H30FNO3/c27-23-11-7-10-21(14-23)24-16-28(15-22(24)17-29)19-26(12-5-2-6-13-26)25(30)31-18-20-8-3-1-4-9-20/h1,3-4,7-11,14,17,22,24H,2,5-6,12-13,15-16,18-19H2