[3-(3-butoxy-2-methyl-phenyl)-5-(2-octoxyphenyl)pyrazin-2-yl] hydrogen carbonate

Systemtic Name: [3-(3-butoxy-2-methyl-phenyl)-5-(2-octoxyphenyl)pyrazin-2-yl] hydrogen carbonate Openeye Name: [3-(3-butoxy-2-methyl-phenyl)-5-(2-octoxyphenyl)pyrazin-2-yl] hydrogen carbonate CAS Name: carbonic acid [3-(3-butoxy-2-methylphenyl)-5-(2-octoxyphenyl)-2-pyrazinyl] ester IUPAC Name: [3-(3-butoxy-2-methylphenyl)-5-(2-octoxyphenyl)pyrazin-2-yl] hydrogen carbonate Traditional Name: carbonic acid [3-(3-butoxy-2-methyl-phenyl)-5-(2-octoxyphenyl)pyrazin-2-yl] ester Formula: C30H38N2O5 MolecularWeight: 506.63312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2=CN=C(C(=N2)C3=C(C(=CC=C3)OCCCC)C)OC(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=CN=C(C(=N2)C3=C(C(=CC=C3)OCCCC)C)OC(=O)O

InChI

InChI=1S/C30H38N2O5/c1-4-6-8-9-10-13-20-36-27-17-12-11-15-24(27)25-21-31-29(37-30(33)34)28(32-25)23-16-14-18-26(22(23)3)35-19-7-5-2/h11-12,14-18,21H,4-10,13,19-20H2,1-3H3,(H,33,34)