3-[[5-bromanyl-2-(carboxymethyloxy)phenyl]-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[[5-bromanyl-2-(carboxymethyloxy)phenyl]-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[[5-bromo-2-(carboxymethyloxy)phenyl]-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[[5-bromo-2-(carboxymethyloxy)phenyl]-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[[5-bromo-2-(carboxymethyloxy)phenyl]-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[[5-bromo-2-(carboxymethyloxy)phenyl]-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid Formula: C27H19BrN2O7 MolecularWeight: 563.35296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)C(C3=C(C=CC(=C3)Br)OCC(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)C(C3=C(C=CC(=C3)Br)OCC(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C27H19BrN2O7/c28-13-9-10-19(37-12-20(31)32)16(11-13)21(22-14-5-1-3-7-17(14)29-24(22)26(33)34)23-15-6-2-4-8-18(15)30-25(23)27(35)36/h1-11,21,29-30H,12H2,(H,31,32)(H,33,34)(H,35,36)