3-[[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[(2S)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]pyrazinoic acid Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CNC(=O)C2=NC=CN=C2C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@H](CNC(=O)C2=NC=CN=C2C(=O)O)O

InChI

InChI=1S/C16H17N3O6/c1-24-11-2-4-12(5-3-11)25-9-10(20)8-19-15(21)13-14(16(22)23)18-7-6-17-13/h2-7,10,20H,8-9H2,1H3,(H,19,21)(H,22,23)/t10-/m0/s1