ethyl 2-(3-bromanyl-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 2-(3-bromanyl-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: ethyl 2-(3-bromo-4-methoxy-phenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-(3-bromo-4-methoxyphenyl)-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-bromo-4-methoxyphenyl)-5-[(4-fluorophenyl)methylcarbamoyl]-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-5-[(4-fluorobenzyl)carbamoyl]-1-(2-thenoyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C27H26BrFN2O5S MolecularWeight: 589.473143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)Br)C(=O)C3=CC=CS3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1CC(N(C1C2=CC(=C(C=C2)OC)Br)C(=O)C3=CC=CS3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C27H26BrFN2O5S/c1-3-36-27(34)19-14-21(25(32)30-15-16-6-9-18(29)10-7-16)31(26(33)23-5-4-12-37-23)24(19)17-8-11-22(35-2)20(28)13-17/h4-13,19,21,24H,3,14-15H2,1-2H3,(H,30,32)