(2S)-2-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-propanoate

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-propanoate Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(3-pyridyl)propanoate CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(3-pyridinyl)propanoate IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-3-pyridin-3-ylpropanoate Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(3-pyridyl)propionate Formula: C16H16NO4- MolecularWeight: 286.30254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC2=CN=CC=C2)C(=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-20-14-6-5-12(9-15(14)21-2)13(16(18)19)8-11-4-3-7-17-10-11/h3-7,9-10,13H,8H2,1-2H3,(H,18,19)/p-1/t13-/m0/s1