6-bromanyl-1-butyl-5-(carboxymethyloxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylic acid

Systemtic Name: 6-bromanyl-1-butyl-5-(carboxymethyloxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylic acid Openeye Name: 6-bromo-1-butyl-5-(carboxymethyloxy)-2-(morpholinomethyl)indole-3-carboxylic acid CAS Name: 6-bromo-1-butyl-5-(carboxymethyloxy)-2-(4-morpholinylmethyl)-3-indolecarboxylic acid IUPAC Name: 6-bromo-1-butyl-5-(carboxymethyloxy)-2-(morpholin-4-ylmethyl)indole-3-carboxylic acid Traditional Name: 6-bromo-1-butyl-5-(carboxymethyloxy)-2-(morpholinomethyl)indole-3-carboxylic acid Formula: C20H25BrN2O6 MolecularWeight: 469.3263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC(=C(C=C2C(=C1CN3CCOCC3)C(=O)O)OCC(=O)O)Br

Isomeric SMILES

CCCCN1C2=CC(=C(C=C2C(=C1CN3CCOCC3)C(=O)O)OCC(=O)O)Br

InChI

InChI=1S/C20H25BrN2O6/c1-2-3-4-23-15-10-14(21)17(29-12-18(24)25)9-13(15)19(20(26)27)16(23)11-22-5-7-28-8-6-22/h9-10H,2-8,11-12H2,1H3,(H,24,25)(H,26,27)