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2-[2-[bis(1H-indol-3-yl)methyl]-4-bromanyl-phenoxy]ethanoic acid

2-[2-[bis(1H-indol-3-yl)methyl]-4-bromanyl-phenoxy]ethanoic acid

Systemtic Name:2-[2-[bis(1H-indol-3-yl)methyl]-4-bromanyl-phenoxy]ethanoic acid
Openeye Name:2-[2-[bis(1H-indol-3-yl)methyl]-4-bromo-phenoxy]acetic acid
CAS Name:2-[2-[bis(1H-indol-3-yl)methyl]-4-bromophenoxy]acetic acid
IUPAC Name:2-[2-[bis(1H-indol-3-yl)methyl]-4-bromophenoxy]acetic acid
Traditional Name:2-[2-[bis(1H-indol-3-yl)methyl]-4-bromo-phenoxy]acetic acid
Formula: C25H19BrN2O3
MolecularWeight: 475.33396
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(C3=C(C=CC(=C3)Br)OCC(=O)O)C4=CNC5=CC=CC=C54


Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(C3=C(C=CC(=C3)Br)OCC(=O)O)C4=CNC5=CC=CC=C54


InChI

InChI=1S/C25H19BrN2O3/c26-15-9-10-23(31-14-24(29)30)18(11-15)25(19-12-27-21-7-3-1-5-16(19)21)20-13-28-22-8-4-2-6-17(20)22/h1-13,25,27-28H,14H2,(H,29,30)


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