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

Systemtic Name: 3-[5-bromanyl-1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[5-bromo-1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[5-bromo-1-[[4-(1-imidazolyl)phenyl]methyl]-3-methyl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[5-bromo-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[5-bromo-1-(4-imidazol-1-ylbenzyl)-3-methyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C24H24BrN3O2 MolecularWeight: 466.37026

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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)CC(C)(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN3O2/c1-16-20-12-18(25)6-9-21(20)28(22(16)13-24(2,3)23(29)30)14-17-4-7-19(8-5-17)27-11-10-26-15-27/h4-12,15H,13-14H2,1-3H3,(H,29,30)