ethyl (2S,5R)-3,6-diethoxy-5-(phenylmethyl)-2-propan-2-yl-2H-pyrazine-5-carboxylate

Systemtic Name: ethyl (2S,5R)-3,6-diethoxy-5-(phenylmethyl)-2-propan-2-yl-2H-pyrazine-5-carboxylate Openeye Name: ethyl (2S,5R)-5-benzyl-3,6-diethoxy-2-isopropyl-2H-pyrazine-5-carboxylate CAS Name: (2S,5R)-3,6-diethoxy-5-(phenylmethyl)-2-propan-2-yl-2H-pyrazine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (2S,5R)-5-benzyl-3,6-diethoxy-2-propan-2-yl-2H-pyrazine-5-carboxylate Traditional Name: (2S,5R)-5-benzyl-3,6-diethoxy-2-isopropyl-2H-pyrazine-5-carboxylic acid ethyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(C(=NC1C(C)C)OCC)(CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC1=N[C@@](C(=N[C@H]1C(C)C)OCC)(CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H30N2O4/c1-6-25-18-17(15(4)5)22-19(26-7-2)21(23-18,20(24)27-8-3)14-16-12-10-9-11-13-16/h9-13,15,17H,6-8,14H2,1-5H3/t17-,21+/m0/s1