[(2S)-5-[(4-methoxyphenyl)methoxy]pent-3-yn-2-yl] pyrazine-2-carboxylate

Systemtic Name: [(2S)-5-[(4-methoxyphenyl)methoxy]pent-3-yn-2-yl] pyrazine-2-carboxylate Openeye Name: [(1S)-4-[(4-methoxyphenyl)methoxy]-1-methyl-but-2-ynyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [(2S)-5-[(4-methoxyphenyl)methoxy]pent-3-yn-2-yl] ester IUPAC Name: [(2S)-5-[(4-methoxyphenyl)methoxy]pent-3-yn-2-yl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(1S)-1-methyl-4-p-anisyloxy-but-2-ynyl] ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CCOCC1=CC=C(C=C1)OC)OC(=O)C2=NC=CN=C2

Isomeric SMILES

C[C@@H](C#CCOCC1=CC=C(C=C1)OC)OC(=O)C2=NC=CN=C2

InChI

InChI=1S/C18H18N2O4/c1-14(24-18(21)17-12-19-9-10-20-17)4-3-11-23-13-15-5-7-16(22-2)8-6-15/h5-10,12,14H,11,13H2,1-2H3/t14-/m0/s1