tert-butyl (2S)-2-[[5-bromanyl-2-methoxy-3-(methylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[[5-bromanyl-2-methoxy-3-(methylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[5-bromo-2-methoxy-3-(methylcarbamoyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H26BrN3O5 MolecularWeight: 456.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=C(C(=CC(=C2)Br)C(=O)NC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=C(C(=CC(=C2)Br)C(=O)NC)OC

InChI

InChI=1S/C19H26BrN3O5/c1-19(2,3)28-18(26)23-8-6-7-14(23)17(25)22-13-10-11(20)9-12(15(13)27-5)16(24)21-4/h9-10,14H,6-8H2,1-5H3,(H,21,24)(H,22,25)/t14-/m0/s1