2-[3-bromanyl-5-[(2-butylimidazol-1-yl)methyl]-1H-indol-2-yl]benzoic acid

Systemtic Name: 2-[3-bromanyl-5-[(2-butylimidazol-1-yl)methyl]-1H-indol-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[(2-butylimidazol-1-yl)methyl]-1H-indol-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[(2-butyl-1-imidazolyl)methyl]-1H-indol-2-yl]benzoic acid IUPAC Name: 2-[3-bromo-5-[(2-butylimidazol-1-yl)methyl]-1H-indol-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[(2-butylimidazol-1-yl)methyl]-1H-indol-2-yl]benzoic acid Formula: C23H22BrN3O2 MolecularWeight: 452.34368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=CN1CC2=CC3=C(C=C2)NC(=C3Br)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCCC1=NC=CN1CC2=CC3=C(C=C2)NC(=C3Br)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H22BrN3O2/c1-2-3-8-20-25-11-12-27(20)14-15-9-10-19-18(13-15)21(24)22(26-19)16-6-4-5-7-17(16)23(28)29/h4-7,9-13,26H,2-3,8,14H2,1H3,(H,28,29)