5-bromanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic acid

Systemtic Name: 5-bromanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic acid Openeye Name: 5-bromo-1-tert-butoxycarbonyl-indole-3-carboxylic acid CAS Name: 5-bromo-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolecarboxylic acid IUPAC Name: 5-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic acid Traditional Name: 5-bromo-1-tert-butoxycarbonyl-indole-3-carboxylic acid Formula: C14H14BrNO4 MolecularWeight: 340.16926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C14H14BrNO4/c1-14(2,3)20-13(19)16-7-10(12(17)18)9-6-8(15)4-5-11(9)16/h4-7H,1-3H3,(H,17,18)