ethyl (3S)-3-(3-methylbenzimidazol-5-yl)-3-oxidanyl-propanoate

Systemtic Name: ethyl (3S)-3-(3-methylbenzimidazol-5-yl)-3-oxidanyl-propanoate Openeye Name: ethyl (3S)-3-hydroxy-3-(3-methylbenzimidazol-5-yl)propanoate CAS Name: (3S)-3-hydroxy-3-(3-methyl-5-benzimidazolyl)propanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-hydroxy-3-(3-methylbenzimidazol-5-yl)propanoate Traditional Name: (3S)-3-hydroxy-3-(3-methylbenzimidazol-5-yl)propionic acid ethyl ester Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC2=C(C=C1)N=CN2C)O

Isomeric SMILES

CCOC(=O)C[C@@H](C1=CC2=C(C=C1)N=CN2C)O

InChI

InChI=1S/C13H16N2O3/c1-3-18-13(17)7-12(16)9-4-5-10-11(6-9)15(2)8-14-10/h4-6,8,12,16H,3,7H2,1-2H3/t12-/m0/s1