pyrazin-2-yl 3-(3-butylpyrazin-2-yl)-3-oxidanyl-3-phenyl-propanoate

Systemtic Name: pyrazin-2-yl 3-(3-butylpyrazin-2-yl)-3-oxidanyl-3-phenyl-propanoate Openeye Name: pyrazin-2-yl 3-(3-butylpyrazin-2-yl)-3-hydroxy-3-phenyl-propanoate CAS Name: 3-(3-butyl-2-pyrazinyl)-3-hydroxy-3-phenylpropanoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(3-butylpyrazin-2-yl)-3-hydroxy-3-phenylpropanoate Traditional Name: 3-(3-butylpyrazin-2-yl)-3-hydroxy-3-phenyl-propionic acid pyrazin-2-yl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=CN=C1C(CC(=O)OC2=NC=CN=C2)(C3=CC=CC=C3)O

Isomeric SMILES

CCCCC1=NC=CN=C1C(CC(=O)OC2=NC=CN=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H22N4O3/c1-2-3-9-17-20(25-13-12-23-17)21(27,16-7-5-4-6-8-16)14-19(26)28-18-15-22-10-11-24-18/h4-8,10-13,15,27H,2-3,9,14H2,1H3