methyl 1-cyclohexylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-cyclohexylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-[cyclohexyl(oxo)methyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-phenyl-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(cyclohexanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-(cyclohexanecarbonyl)-5-[(4-fluorobenzyl)carbamoyl]-4-phenyl-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C31H33FN2O4S MolecularWeight: 548.668123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(N(C1C2=CC=CS2)C(=O)C3CCCCC3)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1C(C(N(C1C2=CC=CS2)C(=O)C3CCCCC3)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C31H33FN2O4S/c1-38-31(37)26-25(21-9-4-2-5-10-21)28(29(35)33-19-20-14-16-23(32)17-15-20)34(27(26)24-13-8-18-39-24)30(36)22-11-6-3-7-12-22/h2,4-5,8-10,13-18,22,25-28H,3,6-7,11-12,19H2,1H3,(H,33,35)