methyl 2-(4-cyanophenyl)-1-(4-fluorophenyl)carbonyl-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(4-cyanophenyl)-1-(4-fluorophenyl)carbonyl-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 2-(4-cyanophenyl)-1-(4-fluorobenzoyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(4-cyanophenyl)-1-[(4-fluorophenyl)-oxomethyl]-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-1-(4-fluorobenzoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-1-(4-fluorobenzoyl)-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C29H26FN3O4 MolecularWeight: 499.532843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)C#N)C(=O)OC

InChI

InChI=1S/C29H26FN3O4/c1-18-3-5-20(6-4-18)17-32-27(34)25-15-24(29(36)37-2)26(21-9-7-19(16-31)8-10-21)33(25)28(35)22-11-13-23(30)14-12-22/h3-14,24-26H,15,17H2,1-2H3,(H,32,34)