[4-(5-nonylpyrazin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate

Systemtic Name: [4-(5-nonylpyrazin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate Openeye Name: [4-(5-nonylpyrazin-2-yl)phenyl] 2-methyl-3-propoxy-propanoate CAS Name: 2-methyl-3-propoxypropanoic acid [4-(5-nonyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrazin-2-yl)phenyl] 2-methyl-3-propoxypropanoate Traditional Name: 2-methyl-3-propoxy-propionic acid [4-(5-nonylpyrazin-2-yl)phenyl] ester Formula: C26H38N2O3 MolecularWeight: 426.59152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCC

Isomeric SMILES

CCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)COCCC

InChI

InChI=1S/C26H38N2O3/c1-4-6-7-8-9-10-11-12-23-18-28-25(19-27-23)22-13-15-24(16-14-22)31-26(29)21(3)20-30-17-5-2/h13-16,18-19,21H,4-12,17,20H2,1-3H3