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

Systemtic Name: methyl 1-(cyclohexylcarbamoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-(cyclohexylcarbamoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-[(cyclohexylamino)-oxomethyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-phenyl-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(cyclohexylcarbamoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-(cyclohexylcarbamoyl)-5-[(4-fluorobenzyl)carbamoyl]-4-phenyl-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C31H34FN3O4S MolecularWeight: 563.682763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(N(C1C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1C(C(N(C1C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C31H34FN3O4S/c1-39-30(37)26-25(21-9-4-2-5-10-21)28(29(36)33-19-20-14-16-22(32)17-15-20)35(27(26)24-13-8-18-40-24)31(38)34-23-11-6-3-7-12-23/h2,4-5,8-10,13-18,23,25-28H,3,6-7,11-12,19H2,1H3,(H,33,36)(H,34,38)