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

Systemtic Name: methyl 2-(3-bromanyl-4-methoxy-phenyl)-1-(4-fluorophenyl)carbonyl-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 2-(3-bromo-4-methoxy-phenyl)-1-(4-fluorobenzoyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-1-[(4-fluorophenyl)-oxomethyl]-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-bromo-4-methoxyphenyl)-1-(4-fluorobenzoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-1-(4-fluorobenzoyl)-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C29H28BrFN2O5 MolecularWeight: 583.445423

Click to see the large picture

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)OC)Br)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)OC)Br)C(=O)OC

InChI

InChI=1S/C29H28BrFN2O5/c1-17-4-6-18(7-5-17)16-32-27(34)24-15-22(29(36)38-3)26(20-10-13-25(37-2)23(30)14-20)33(24)28(35)19-8-11-21(31)12-9-19/h4-14,22,24,26H,15-16H2,1-3H3,(H,32,34)