methyl 1-[(4-chlorophenyl)methyl]-2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]benzimidazole-5-carboxylate

Systemtic Name: methyl 1-[(4-chlorophenyl)methyl]-2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]benzimidazole-5-carboxylate Openeye Name: methyl 1-[(4-chlorophenyl)methyl]-2-[2-(isobutylamino)-2-oxo-ethyl]benzimidazole-5-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-2-[2-(2-methylpropylamino)-2-oxoethyl]-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-chlorophenyl)methyl]-2-[2-(2-methylpropylamino)-2-oxoethyl]benzimidazole-5-carboxylate Traditional Name: 1-(4-chlorobenzyl)-2-[2-(isobutylamino)-2-keto-ethyl]benzimidazole-5-carboxylic acid methyl ester Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)CC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)C(=O)OC

InChI

InChI=1S/C22H24ClN3O3/c1-14(2)12-24-21(27)11-20-25-18-10-16(22(28)29-3)6-9-19(18)26(20)13-15-4-7-17(23)8-5-15/h4-10,14H,11-13H2,1-3H3,(H,24,27)