diethyl 2-[(2R,3S)-3-cyano-3-[methyl-(phenylmethyl)amino]-2-phenyl-propyl]propanedioate

Systemtic Name: diethyl 2-[(2R,3S)-3-cyano-3-[methyl-(phenylmethyl)amino]-2-phenyl-propyl]propanedioate Openeye Name: diethyl 2-[(2R,3S)-3-[benzyl(methyl)amino]-3-cyano-2-phenyl-propyl]propanedioate CAS Name: 2-[(2R,3S)-3-cyano-3-[methyl-(phenylmethyl)amino]-2-phenylpropyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(2R,3S)-3-[benzyl(methyl)amino]-3-cyano-2-phenylpropyl]propanedioate Traditional Name: 2-[(2R,3S)-3-[benzyl(methyl)amino]-3-cyano-2-phenyl-propyl]malonic acid diethyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C1=CC=CC=C1)C(C#N)N(C)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C[C@H](C1=CC=CC=C1)[C@@H](C#N)N(C)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C25H30N2O4/c1-4-30-24(28)22(25(29)31-5-2)16-21(20-14-10-7-11-15-20)23(17-26)27(3)18-19-12-8-6-9-13-19/h6-15,21-23H,4-5,16,18H2,1-3H3/t21-,23-/m1/s1