methyl (2S)-2-[2-cyanoethanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-cyanoethanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(2-cyanoacetyl)-[(4-methoxyphenyl)methyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-cyano-1-oxoethyl)-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-cyanoacetyl)-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-cyanoacetyl)-p-anisyl-amino]-3-phenyl-propionic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C(CC2=CC=CC=C2)C(=O)OC)C(=O)CC#N

Isomeric SMILES

COC1=CC=C(C=C1)CN([C@@H](CC2=CC=CC=C2)C(=O)OC)C(=O)CC#N

InChI

InChI=1S/C21H22N2O4/c1-26-18-10-8-17(9-11-18)15-23(20(24)12-13-22)19(21(25)27-2)14-16-6-4-3-5-7-16/h3-11,19H,12,14-15H2,1-2H3/t19-/m0/s1