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

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-(morpholin-4-ylmethyl)-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(morpholinomethyl)-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-morpholinylmethyl)-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(morpholin-4-ylmethyl)-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(morpholinomethyl)-2-propyl-imidazole-4-carboxylic acid Formula: C20H24ClN3O5 MolecularWeight: 421.87466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)CN4CCOCC4

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)CN4CCOCC4

InChI

InChI=1S/C20H24ClN3O5/c1-2-3-18-22-15(11-23-4-6-27-7-5-23)19(20(25)26)24(18)10-13-8-16-17(9-14(13)21)29-12-28-16/h8-9H,2-7,10-12H2,1H3,(H,25,26)