7-(4,5-diphenylpyrimidin-2-yl)hept-6-ynoic acid

Systemtic Name: 7-(4,5-diphenylpyrimidin-2-yl)hept-6-ynoic acid Openeye Name: 7-(4,5-diphenylpyrimidin-2-yl)hept-6-ynoic acid CAS Name: 7-(4,5-diphenyl-2-pyrimidinyl)-6-heptynoic acid IUPAC Name: 7-(4,5-diphenylpyrimidin-2-yl)hept-6-ynoic acid Traditional Name: 7-(4,5-diphenylpyrimidin-2-yl)hept-6-ynoic acid Formula: C23H20N2O2 MolecularWeight: 356.4171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)C#CCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)C#CCCCCC(=O)O

InChI

InChI=1S/C23H20N2O2/c26-22(27)16-10-2-1-9-15-21-24-17-20(18-11-5-3-6-12-18)23(25-21)19-13-7-4-8-14-19/h3-8,11-14,17H,1-2,10,16H2,(H,26,27)