1-[[(2S)-oxolan-2-yl]methyl]-2-[2-(propanoylamino)ethyl]benzimidazole-5-carboxylate

Systemtic Name: 1-[[(2S)-oxolan-2-yl]methyl]-2-[2-(propanoylamino)ethyl]benzimidazole-5-carboxylate Openeye Name: 2-[2-(propanoylamino)ethyl]-1-[[(2S)-tetrahydrofuran-2-yl]methyl]benzimidazole-5-carboxylate CAS Name: 1-[[(2S)-2-oxolanyl]methyl]-2-[2-(1-oxopropylamino)ethyl]-5-benzimidazolecarboxylate IUPAC Name: 1-[[(2S)-oxolan-2-yl]methyl]-2-[2-(propanoylamino)ethyl]benzimidazole-5-carboxylate Traditional Name: 2-(2-propionamidoethyl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]benzimidazole-5-carboxylate Formula: C18H22N3O4- MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCCC1=NC2=C(N1CC3CCCO3)C=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCC(=O)NCCC1=NC2=C(N1C[C@@H]3CCCO3)C=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C18H23N3O4/c1-2-17(22)19-8-7-16-20-14-10-12(18(23)24)5-6-15(14)21(16)11-13-4-3-9-25-13/h5-6,10,13H,2-4,7-9,11H2,1H3,(H,19,22)(H,23,24)/p-1/t13-/m0/s1