methyl 4-[(1S,2R)-2-cyano-1-oxidanyl-2-phenyl-propyl]benzoate

Systemtic Name: methyl 4-[(1S,2R)-2-cyano-1-oxidanyl-2-phenyl-propyl]benzoate Openeye Name: methyl 4-[(1S,2R)-2-cyano-1-hydroxy-2-phenyl-propyl]benzoate CAS Name: 4-[(1S,2R)-2-cyano-1-hydroxy-2-phenylpropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1S,2R)-2-cyano-1-hydroxy-2-phenylpropyl]benzoate Traditional Name: 4-[(1S,2R)-2-cyano-1-hydroxy-2-phenyl-propyl]benzoic acid methyl ester Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC=CC=C1)C(C2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

C[C@](C#N)(C1=CC=CC=C1)[C@H](C2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C18H17NO3/c1-18(12-19,15-6-4-3-5-7-15)16(20)13-8-10-14(11-9-13)17(21)22-2/h3-11,16,20H,1-2H3/t16-,18-/m0/s1