3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(2-cyclohexylethyl)-2-propyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(2-cyclohexylethyl)-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(2-cyclohexylethyl)-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(2-cyclohexylethyl)-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(2-cyclohexylethyl)-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(2-cyclohexylethyl)-2-propyl-imidazole-4-carboxylic acid Formula: C23H29ClN2O4 MolecularWeight: 432.94036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)CCC4CCCCC4

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)CCC4CCCCC4

InChI

InChI=1S/C23H29ClN2O4/c1-2-6-21-25-18(10-9-15-7-4-3-5-8-15)22(23(27)28)26(21)13-16-11-19-20(12-17(16)24)30-14-29-19/h11-12,15H,2-10,13-14H2,1H3,(H,27,28)