ethyl 1-(3-bromophenyl)carbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)carbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Openeye Name: ethyl 1-(3-bromobenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate CAS Name: 1-[(3-bromophenyl)-oxomethyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromobenzoyl)-5-[(4-fluorophenyl)methylcarbamoyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate Traditional Name: 1-(3-bromobenzoyl)-5-[(4-fluorobenzyl)carbamoyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C29H28BrFN2O5 MolecularWeight: 583.445423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC=C(C=C2)OC)C(=O)C3=CC(=CC=C3)Br)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC=C(C=C2)OC)C(=O)C3=CC(=CC=C3)Br)C(=O)NCC4=CC=C(C=C4)F

InChI

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