[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate

Systemtic Name: [1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-(1H-benzimidazol-2-yl)benzoate CAS Name: 2-(1H-benzimidazol-2-yl)benzoic acid [1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate Traditional Name: 2-(1H-benzimidazol-2-yl)benzoic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C26H25N3O3/c1-4-18-11-9-10-16(2)23(18)29-25(30)17(3)32-26(31)20-13-6-5-12-19(20)24-27-21-14-7-8-15-22(21)28-24/h5-15,17H,4H2,1-3H3,(H,27,28)(H,29,30)