4-[(3-bromanylphenoxy)methyl]-1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-[(3-bromanylphenoxy)methyl]-1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-[(3-bromophenoxy)methyl]-1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-[(3-bromophenoxy)methyl]-1-[2-(methoxycarbonylamino)-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-[(3-bromophenoxy)methyl]-1-[2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 4-[(3-bromophenoxy)methyl]-1-[2-(carbomethoxyamino)-3,3-dimethyl-butanoyl]proline Formula: C20H27BrN2O6 MolecularWeight: 471.34218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)COC2=CC(=CC=C2)Br)NC(=O)OC

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)COC2=CC(=CC=C2)Br)NC(=O)OC

InChI

InChI=1S/C20H27BrN2O6/c1-20(2,3)16(22-19(27)28-4)17(24)23-10-12(8-15(23)18(25)26)11-29-14-7-5-6-13(21)9-14/h5-7,9,12,15-16H,8,10-11H2,1-4H3,(H,22,27)(H,25,26)