5-bromanyl-2-methoxy-3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-methoxy-3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 5-bromo-3-[[(2S)-1-tert-butoxycarbonylpyrrolidine-2-carbonyl]amino]-2-methoxy-benzoic acid CAS Name: 5-bromo-2-methoxy-3-[[[(2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-methoxy-3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 5-bromo-3-[[(2S)-1-tert-butoxycarbonylprolyl]amino]-2-methoxy-benzoic acid Formula: C18H23BrN2O6 MolecularWeight: 443.28902

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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)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H23BrN2O6/c1-18(2,3)27-17(25)21-7-5-6-13(21)15(22)20-12-9-10(19)8-11(16(23)24)14(12)26-4/h8-9,13H,5-7H2,1-4H3,(H,20,22)(H,23,24)/t13-/m0/s1