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

Systemtic Name: 2-[(1S)-1-acetamido-2-phenyl-ethyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole-5-carboxylate Openeye Name: 2-[(1S)-1-acetamido-2-phenyl-ethyl]-1-[[(2S)-tetrahydrofuran-2-yl]methyl]benzimidazole-5-carboxylate CAS Name: 2-[(1S)-1-acetamido-2-phenylethyl]-1-[[(2S)-2-oxolanyl]methyl]-5-benzimidazolecarboxylate IUPAC Name: 2-[(1S)-1-acetamido-2-phenylethyl]-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole-5-carboxylate Traditional Name: 2-[(1S)-1-acetamido-2-phenyl-ethyl]-1-[[(2S)-tetrahydrofuran-2-yl]methyl]benzimidazole-5-carboxylate Formula: C23H24N3O4- MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C2=NC3=C(N2CC4CCCO4)C=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC=CC=C1)C2=NC3=C(N2C[C@@H]4CCCO4)C=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C23H25N3O4/c1-15(27)24-20(12-16-6-3-2-4-7-16)22-25-19-13-17(23(28)29)9-10-21(19)26(22)14-18-8-5-11-30-18/h2-4,6-7,9-10,13,18,20H,5,8,11-12,14H2,1H3,(H,24,27)(H,28,29)/p-1/t18-,20-/m0/s1