4-[[2-[(1R)-1-[(4-methylphenyl)carbonylamino]ethyl]benzimidazol-1-yl]methyl]benzoate

Systemtic Name: 4-[[2-[(1R)-1-[(4-methylphenyl)carbonylamino]ethyl]benzimidazol-1-yl]methyl]benzoate Openeye Name: 4-[[2-[(1R)-1-[(4-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-[(1R)-1-[[(4-methylphenyl)-oxomethyl]amino]ethyl]-1-benzimidazolyl]methyl]benzoate IUPAC Name: 4-[[2-[(1R)-1-[(4-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-[(1R)-1-(p-toluoylamino)ethyl]benzimidazol-1-yl]methyl]benzoate Formula: C25H22N3O3- MolecularWeight: 412.46048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C25H23N3O3/c1-16-7-11-19(12-8-16)24(29)26-17(2)23-27-21-5-3-4-6-22(21)28(23)15-18-9-13-20(14-10-18)25(30)31/h3-14,17H,15H2,1-2H3,(H,26,29)(H,30,31)/p-1/t17-/m1/s1