7-(2-oxidanylidene-3,4,5-triphenyl-imidazol-1-yl)hept-5-ynoic acid

Systemtic Name: 7-(2-oxidanylidene-3,4,5-triphenyl-imidazol-1-yl)hept-5-ynoic acid Openeye Name: 7-(2-oxo-3,4,5-triphenyl-imidazol-1-yl)hept-5-ynoic acid CAS Name: 7-(2-oxo-3,4,5-triphenyl-1-imidazolyl)-5-heptynoic acid IUPAC Name: 7-(2-oxo-3,4,5-triphenylimidazol-1-yl)hept-5-ynoic acid Traditional Name: 7-(2-keto-3,4,5-triphenyl-4-imidazolin-1-yl)hept-5-ynoic acid Formula: C28H24N2O3 MolecularWeight: 436.50176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)N2CC#CCCCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)N2CC#CCCCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H24N2O3/c31-25(32)20-12-1-2-13-21-29-26(22-14-6-3-7-15-22)27(23-16-8-4-9-17-23)30(28(29)33)24-18-10-5-11-19-24/h3-11,14-19H,1,12,20-21H2,(H,31,32)