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

Systemtic Name: methyl 1-(4-tert-butylphenyl)carbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-thiophen-2-yl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-(4-tert-butylbenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-(2-thienyl)pyrrolidine-3-carboxylate CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-phenyl-2-thiophen-2-yl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-tert-butylbenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-2-thiophen-2-ylpyrrolidine-3-carboxylate Traditional Name: 1-(4-tert-butylbenzoyl)-5-[(4-fluorobenzyl)carbamoyl]-4-phenyl-2-(2-thienyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C35H35FN2O4S MolecularWeight: 598.726803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(C(C(C2C(=O)NCC3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)OC)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C(C(C(C2C(=O)NCC3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)OC)C5=CC=CS5

InChI

InChI=1S/C35H35FN2O4S/c1-35(2,3)25-16-14-24(15-17-25)33(40)38-30(27-11-8-20-43-27)29(34(41)42-4)28(23-9-6-5-7-10-23)31(38)32(39)37-21-22-12-18-26(36)19-13-22/h5-20,28-31H,21H2,1-4H3,(H,37,39)