methyl 7-(2-oxidanylidene-3,4,5-triphenyl-imidazol-1-yl)hept-5-ynoate

Systemtic Name: methyl 7-(2-oxidanylidene-3,4,5-triphenyl-imidazol-1-yl)hept-5-ynoate Openeye Name: methyl 7-(2-oxo-3,4,5-triphenyl-imidazol-1-yl)hept-5-ynoate CAS Name: 7-(2-oxo-3,4,5-triphenyl-1-imidazolyl)-5-heptynoic acid methyl ester IUPAC Name: methyl 7-(2-oxo-3,4,5-triphenylimidazol-1-yl)hept-5-ynoate Traditional Name: 7-(2-keto-3,4,5-triphenyl-4-imidazolin-1-yl)hept-5-ynoic acid methyl ester Formula: C29H26N2O3 MolecularWeight: 450.52834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC#CCN1C(=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCCC#CCN1C(=C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H26N2O3/c1-34-26(32)21-13-2-3-14-22-30-27(23-15-7-4-8-16-23)28(24-17-9-5-10-18-24)31(29(30)33)25-19-11-6-12-20-25/h4-12,15-20H,2,13,21-22H2,1H3