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

Systemtic Name: 2-[2-[bis(1-methylindol-3-yl)methyl]-4-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-[bis(1-methylindol-3-yl)methyl]-4-bromo-phenoxy]acetic acid CAS Name: 2-[2-[bis(1-methyl-3-indolyl)methyl]-4-bromophenoxy]acetic acid IUPAC Name: 2-[2-[bis(1-methylindol-3-yl)methyl]-4-bromophenoxy]acetic acid Traditional Name: 2-[2-[bis(1-methylindol-3-yl)methyl]-4-bromo-phenoxy]acetic acid Formula: C27H23BrN2O3 MolecularWeight: 503.38712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(C3=C(C=CC(=C3)Br)OCC(=O)O)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(C3=C(C=CC(=C3)Br)OCC(=O)O)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C27H23BrN2O3/c1-29-14-21(18-7-3-5-9-23(18)29)27(22-15-30(2)24-10-6-4-8-19(22)24)20-13-17(28)11-12-25(20)33-16-26(31)32/h3-15,27H,16H2,1-2H3,(H,31,32)