2-[[7-butyl-8-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]oxy]ethyl ethanoate

Systemtic Name: 2-[[7-butyl-8-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]oxy]ethyl ethanoate Openeye Name: 2-[[7-butyl-8-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]oxy]ethyl acetate CAS Name: acetic acid 2-[[7-butyl-8-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]oxy]ethyl ester IUPAC Name: 2-[[7-butyl-8-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]oxy]ethyl acetate Traditional Name: acetic acid 2-[[7-butyl-8-[4-(2-cyanophenyl)benzyl]-5-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]oxy]ethyl ester Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=NC(=NN2C(=N1)C)OCCOC(=O)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCC1=C(C2=NC(=NN2C(=N1)C)OCCOC(=O)C)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C28H29N5O3/c1-4-5-10-26-25(17-21-11-13-22(14-12-21)24-9-7-6-8-23(24)18-29)27-31-28(32-33(27)19(2)30-26)36-16-15-35-20(3)34/h6-9,11-14H,4-5,10,15-17H2,1-3H3