ethyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-phenethyl-2-propyl-imidazole-4-carboxylate

Systemtic Name: ethyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-phenethyl-2-propyl-imidazole-4-carboxylate Openeye Name: ethyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenethyl-2-propyl-imidazole-4-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenethyl-2-propyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenethyl-2-propylimidazole-4-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-phenethyl-2-propyl-imidazole-4-carboxylic acid ethyl ester Formula: C25H27ClN2O4 MolecularWeight: 454.94588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)CCC4=CC=CC=C4

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)CCC4=CC=CC=C4

InChI

InChI=1S/C25H27ClN2O4/c1-3-8-23-27-20(12-11-17-9-6-5-7-10-17)24(25(29)30-4-2)28(23)15-18-13-21-22(14-19(18)26)32-16-31-21/h5-7,9-10,13-14H,3-4,8,11-12,15-16H2,1-2H3