(3S)-3-cyano-3-(3,4-dimethoxyphenyl)-3-pyrazin-2-yl-propanoic acid

Systemtic Name: (3S)-3-cyano-3-(3,4-dimethoxyphenyl)-3-pyrazin-2-yl-propanoic acid Openeye Name: (3S)-3-cyano-3-(3,4-dimethoxyphenyl)-3-pyrazin-2-yl-propanoic acid CAS Name: (3S)-3-cyano-3-(3,4-dimethoxyphenyl)-3-(2-pyrazinyl)propanoic acid IUPAC Name: (3S)-3-cyano-3-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylpropanoic acid Traditional Name: (3S)-3-cyano-3-(3,4-dimethoxyphenyl)-3-pyrazin-2-yl-propionic acid Formula: C16H15N3O4 MolecularWeight: 313.308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4/c1-22-12-4-3-11(7-13(12)23-2)16(10-17,8-15(20)21)14-9-18-5-6-19-14/h3-7,9H,8H2,1-2H3,(H,20,21)/t16-/m0/s1