[(1S,2S)-2-[bis(phenylmethyl)amino]-1-cyano-3-phenyl-propyl] benzoate

Systemtic Name: [(1S,2S)-2-[bis(phenylmethyl)amino]-1-cyano-3-phenyl-propyl] benzoate Openeye Name: [(1S,2S)-1-cyano-2-(dibenzylamino)-3-phenyl-propyl] benzoate CAS Name: benzoic acid [(1S,2S)-2-[bis(phenylmethyl)amino]-1-cyano-3-phenylpropyl] ester IUPAC Name: [(1S,2S)-1-cyano-2-(dibenzylamino)-3-phenylpropyl] benzoate Traditional Name: benzoic acid [(1S,2S)-1-cyano-2-(dibenzylamino)-3-phenyl-propyl] ester Formula: C31H28N2O2 MolecularWeight: 460.56622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C#N)OC(=O)C2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]([C@@H](C#N)OC(=O)C2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C31H28N2O2/c32-22-30(35-31(34)28-19-11-4-12-20-28)29(21-25-13-5-1-6-14-25)33(23-26-15-7-2-8-16-26)24-27-17-9-3-10-18-27/h1-20,29-30H,21,23-24H2/t29-,30+/m0/s1