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

Systemtic Name: 4-[5-chloranyl-1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]-2,2-dimethyl-butanoic acid Openeye Name: 4-[5-chloro-1-[(4-imidazol-1-ylphenyl)methyl]-3-methyl-indol-2-yl]-2,2-dimethyl-butanoic acid CAS Name: 4-[5-chloro-1-[[4-(1-imidazolyl)phenyl]methyl]-3-methyl-2-indolyl]-2,2-dimethylbutanoic acid IUPAC Name: 4-[5-chloro-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylindol-2-yl]-2,2-dimethylbutanoic acid Traditional Name: 4-[5-chloro-1-(4-imidazol-1-ylbenzyl)-3-methyl-indol-2-yl]-2,2-dimethyl-butyric acid Formula: C25H26ClN3O2 MolecularWeight: 435.94584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O2/c1-17-21-14-19(26)6-9-23(21)29(22(17)10-11-25(2,3)24(30)31)15-18-4-7-20(8-5-18)28-13-12-27-16-28/h4-9,12-14,16H,10-11,15H2,1-3H3,(H,30,31)