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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C)C1=NC2=C(N1CC3CCCO3)C=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCC(=O)N[C@H](C)C1=NC2=C(N1C[C@@H]3CCCO3)C=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C18H23N3O4/c1-3-16(22)19-11(2)17-20-14-9-12(18(23)24)6-7-15(14)21(17)10-13-5-4-8-25-13/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,19,22)(H,23,24)/p-1/t11-,13+/m1/s1