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

Systemtic Name: 3-[(5-bromanyl-3-ethoxy-2-oxidanyl-phenyl)-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(5-bromo-3-ethoxy-2-hydroxy-phenyl)-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(5-bromo-3-ethoxy-2-hydroxyphenyl)-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(5-bromo-3-ethoxy-2-hydroxy-phenyl)-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid Formula: C27H21BrN2O6 MolecularWeight: 549.36944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)Br)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)Br)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O)O

InChI

InChI=1S/C27H21BrN2O6/c1-2-36-19-12-13(28)11-16(25(19)31)20(21-14-7-3-5-9-17(14)29-23(21)26(32)33)22-15-8-4-6-10-18(15)30-24(22)27(34)35/h3-12,20,29-31H,2H2,1H3,(H,32,33)(H,34,35)