[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)N(C(=N3)C)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC3=C(C=C2)N(C(=N3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3/c1-4-19-10-12-20(13-11-19)25(29)17(2)31-26(30)21-14-15-24-23(16-21)27-18(3)28(24)22-8-6-5-7-9-22/h5-17H,4H2,1-3H3/t17-/m0/s1