[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C22H25N3O3/c1-15(2)11-12-23-21(26)14-28-22(27)17-9-10-20-19(13-17)24-16(3)25(20)18-7-5-4-6-8-18/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,26)