ethyl 5-[[[3-methyl-2-(phenylmethyl)-6-(propanoylamino)benzimidazol-4-yl]carbonylamino]methyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[[[3-methyl-2-(phenylmethyl)-6-(propanoylamino)benzimidazol-4-yl]carbonylamino]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[[2-benzyl-3-methyl-6-(propanoylamino)benzimidazole-4-carbonyl]amino]methyl]furan-2-carboxylate CAS Name: 5-[[[[3-methyl-6-(1-oxopropylamino)-2-(phenylmethyl)-4-benzimidazolyl]-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[[2-benzyl-3-methyl-6-(propanoylamino)benzimidazole-4-carbonyl]amino]methyl]furan-2-carboxylate Traditional Name: 5-[[(2-benzyl-3-methyl-6-propionamido-benzimidazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid ethyl ester Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C(=C1)C(=O)NCC3=CC=C(O3)C(=O)OCC)N(C(=N2)CC4=CC=CC=C4)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C(=C1)C(=O)NCC3=CC=C(O3)C(=O)OCC)N(C(=N2)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4O5/c1-4-24(32)29-18-14-20(26(33)28-16-19-11-12-22(36-19)27(34)35-5-2)25-21(15-18)30-23(31(25)3)13-17-9-7-6-8-10-17/h6-12,14-15H,4-5,13,16H2,1-3H3,(H,28,33)(H,29,32)