6-bromanyl-1-butyl-5-(carboxymethyloxy)-2-methyl-indole-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-butyl-5-(carboxymethyloxy)-2-methyl-indole-3-carboxylic acid Openeye Name: 6-bromo-1-butyl-5-(carboxymethyloxy)-2-methyl-indole-3-carboxylic acid CAS Name: 6-bromo-1-butyl-5-(carboxymethyloxy)-2-methyl-3-indolecarboxylic acid IUPAC Name: 6-bromo-1-butyl-5-(carboxymethyloxy)-2-methylindole-3-carboxylic acid Traditional Name: 6-bromo-1-butyl-5-(carboxymethyloxy)-2-methyl-indole-3-carboxylic acid Formula: C16H18BrNO5 MolecularWeight: 384.22182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC(=C(C=C21)Br)OCC(=O)O)C(=O)O)C

Isomeric SMILES

CCCCN1C(=C(C2=CC(=C(C=C21)Br)OCC(=O)O)C(=O)O)C

InChI

InChI=1S/C16H18BrNO5/c1-3-4-5-18-9(2)15(16(21)22)10-6-13(23-8-14(19)20)11(17)7-12(10)18/h6-7H,3-5,8H2,1-2H3,(H,19,20)(H,21,22)