(2S)-2-bromanyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid

Systemtic Name: (2S)-2-bromanyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid Openeye Name: (2S)-2-bromo-3-(1-tert-butoxycarbonylindol-3-yl)propanoic acid CAS Name: (2S)-2-bromo-3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]propanoic acid IUPAC Name: (2S)-2-bromo-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid Traditional Name: (2S)-2-bromo-3-(1-tert-butoxycarbonylindol-3-yl)propionic acid Formula: C16H18BrNO4 MolecularWeight: 368.22242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)Br

InChI

InChI=1S/C16H18BrNO4/c1-16(2,3)22-15(21)18-9-10(8-12(17)14(19)20)11-6-4-5-7-13(11)18/h4-7,9,12H,8H2,1-3H3,(H,19,20)/t12-/m0/s1