5-[[2-[(1R)-1-[(4-methylphenyl)carbonylamino]ethyl]benzimidazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[2-[(1R)-1-[(4-methylphenyl)carbonylamino]ethyl]benzimidazol-1-yl]methyl]furan-2-carboxylate Openeye Name: 5-[[2-[(1R)-1-[(4-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[2-[(1R)-1-[[(4-methylphenyl)-oxomethyl]amino]ethyl]-1-benzimidazolyl]methyl]-2-furancarboxylate IUPAC Name: 5-[[2-[(1R)-1-[(4-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[2-[(1R)-1-(p-toluoylamino)ethyl]benzimidazol-1-yl]methyl]-2-furoate Formula: C23H20N3O4- MolecularWeight: 402.4226

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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(O4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C)C2=NC3=CC=CC=C3N2CC4=CC=C(O4)C(=O)[O-]

InChI

InChI=1S/C23H21N3O4/c1-14-7-9-16(10-8-14)22(27)24-15(2)21-25-18-5-3-4-6-19(18)26(21)13-17-11-12-20(30-17)23(28)29/h3-12,15H,13H2,1-2H3,(H,24,27)(H,28,29)/p-1/t15-/m1/s1