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

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-3-pyridin-4-yl-propanoic acid Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(4-pyridyl)propanoic acid CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-3-pyridin-4-ylpropanoic acid IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-3-pyridin-4-ylpropanoic acid Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-3-(4-pyridyl)propionic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC2=CC=NC=C2)C(=O)O)OC

Isomeric SMILES

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

InChI

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