dimethyl 2-(3-bromanyl-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-pyrrolidine-1,3-dicarboxylate

Systemtic Name: dimethyl 2-(3-bromanyl-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-pyrrolidine-1,3-dicarboxylate Openeye Name: dimethyl 2-(3-bromo-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-pyrrolidine-1,3-dicarboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-phenylpyrrolidine-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(3-bromo-4-methoxyphenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenylpyrrolidine-1,3-dicarboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-5-[(4-fluorobenzyl)carbamoyl]-4-phenyl-pyrrolidine-1,3-dicarboxylic acid dimethyl ester Formula: C29H28BrFN2O6 MolecularWeight: 599.444823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(C(N2C(=O)OC)C(=O)NCC3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(C(C(N2C(=O)OC)C(=O)NCC3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)OC)Br

InChI

InChI=1S/C29H28BrFN2O6/c1-37-22-14-11-19(15-21(22)30)25-24(28(35)38-2)23(18-7-5-4-6-8-18)26(33(25)29(36)39-3)27(34)32-16-17-9-12-20(31)13-10-17/h4-15,23-26H,16H2,1-3H3,(H,32,34)