[(1R)-1-cyanoethyl] 3-(1,3-benzoxazol-2-yl)propanoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [(1R)-1-cyanoethyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [(1R)-1-cyanoethyl] ester Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CCC1=NC2=CC=CC=C2O1

Isomeric SMILES

C[C@H](C#N)OC(=O)CCC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C13H12N2O3/c1-9(8-14)17-13(16)7-6-12-15-10-4-2-3-5-11(10)18-12/h2-5,9H,6-7H2,1H3/t9-/m1/s1