tert-butyl (2S,3R)-2-[(3-cyanophenyl)methyl]-3-[(phenylmethyl)amino]butanoate

Systemtic Name: tert-butyl (2S,3R)-2-[(3-cyanophenyl)methyl]-3-[(phenylmethyl)amino]butanoate Openeye Name: tert-butyl (2S,3R)-3-(benzylamino)-2-[(3-cyanophenyl)methyl]butanoate CAS Name: (2S,3R)-2-[(3-cyanophenyl)methyl]-3-[(phenylmethyl)amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-3-(benzylamino)-2-[(3-cyanophenyl)methyl]butanoate Traditional Name: (2S,3R)-3-(benzylamino)-2-(3-cyanobenzyl)butyric acid tert-butyl ester Formula: C23H28N2O2 MolecularWeight: 364.48062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC(C)(C)C)NCC2=CC=CC=C2

Isomeric SMILES

C[C@H]([C@H](CC1=CC=CC(=C1)C#N)C(=O)OC(C)(C)C)NCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O2/c1-17(25-16-18-9-6-5-7-10-18)21(22(26)27-23(2,3)4)14-19-11-8-12-20(13-19)15-24/h5-13,17,21,25H,14,16H2,1-4H3/t17-,21+/m1/s1