3-[5-bromanyl-1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]propanoic acid

Systemtic Name: 3-[5-bromanyl-1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]propanoic acid Openeye Name: 3-[5-bromo-1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]propanoic acid CAS Name: 3-[5-bromo-1-[[4-(1-imidazolyl)phenyl]methyl]-3-methyl-2-indolyl]propanoic acid IUPAC Name: 3-[5-bromo-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylindol-2-yl]propanoic acid Traditional Name: 3-[5-bromo-1-(4-imidazol-1-ylbenzyl)-3-methyl-indol-2-yl]propionic acid Formula: C22H20BrN3O2 MolecularWeight: 438.3171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)Br)CC3=CC=C(C=C3)N4C=CN=C4)CCC(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)Br)CC3=CC=C(C=C3)N4C=CN=C4)CCC(=O)O

InChI

InChI=1S/C22H20BrN3O2/c1-15-19-12-17(23)4-7-21(19)26(20(15)8-9-22(27)28)13-16-2-5-18(6-3-16)25-11-10-24-14-25/h2-7,10-12,14H,8-9,13H2,1H3,(H,27,28)