methyl (3S)-3-(1-methylbenzimidazol-5-yl)-3-oxidanyl-propanoate

Systemtic Name: methyl (3S)-3-(1-methylbenzimidazol-5-yl)-3-oxidanyl-propanoate Openeye Name: methyl (3S)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propanoate CAS Name: (3S)-3-hydroxy-3-(1-methyl-5-benzimidazolyl)propanoic acid methyl ester IUPAC Name: methyl (3S)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propanoate Traditional Name: (3S)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propionic acid methyl ester Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=CC(=C2)C(CC(=O)OC)O

Isomeric SMILES

CN1C=NC2=C1C=CC(=C2)[C@H](CC(=O)OC)O

InChI

InChI=1S/C12H14N2O3/c1-14-7-13-9-5-8(3-4-10(9)14)11(15)6-12(16)17-2/h3-5,7,11,15H,6H2,1-2H3/t11-/m0/s1