3-bromanyl-1-methyl-5-phenylmethoxy-indole-2-carboxylic acid

Systemtic Name: 3-bromanyl-1-methyl-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 5-benzyloxy-3-bromo-1-methyl-indole-2-carboxylic acid CAS Name: 3-bromo-1-methyl-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 3-bromo-1-methyl-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 5-benzoxy-3-bromo-1-methyl-indole-2-carboxylic acid Formula: C17H14BrNO3 MolecularWeight: 360.20196

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=C1C(=O)O)Br

Isomeric SMILES

CN1C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=C1C(=O)O)Br

InChI

InChI=1S/C17H14BrNO3/c1-19-14-8-7-12(22-10-11-5-3-2-4-6-11)9-13(14)15(18)16(19)17(20)21/h2-9H,10H2,1H3,(H,20,21)