(3S,4S)-3-cyano-4,5-diphenyl-pentanoate

Systemtic Name: (3S,4S)-3-cyano-4,5-diphenyl-pentanoate Openeye Name: (3S,4S)-3-cyano-4,5-diphenyl-pentanoate CAS Name: (3S,4S)-3-cyano-4,5-diphenylpentanoate IUPAC Name: (3S,4S)-3-cyano-4,5-diphenylpentanoate Traditional Name: (3S,4S)-3-cyano-4,5-diphenyl-valerate Formula: C18H16NO2- MolecularWeight: 278.32514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)C(CC(=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO2/c19-13-16(12-18(20)21)17(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-10,16-17H,11-12H2,(H,20,21)/p-1/t16-,17-/m1/s1