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

Systemtic Name: (3S)-3-cyano-3-(3,4-dimethoxyphenyl)-3-pyrazin-2-yl-propanoate Openeye Name: (3S)-3-cyano-3-(3,4-dimethoxyphenyl)-3-pyrazin-2-yl-propanoate CAS Name: (3S)-3-cyano-3-(3,4-dimethoxyphenyl)-3-(2-pyrazinyl)propanoate IUPAC Name: (3S)-3-cyano-3-(3,4-dimethoxyphenyl)-3-pyrazin-2-ylpropanoate Traditional Name: (3S)-3-cyano-3-(3,4-dimethoxyphenyl)-3-pyrazin-2-yl-propionate Formula: C16H14N3O4- MolecularWeight: 312.30006

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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)/p-1/t16-/m0/s1