4-[4-(12-imidazol-1-yldodecyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(12-imidazol-1-yldodecyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(12-imidazol-1-yldodecyl)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[12-(1-imidazolyl)dodecyl]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(12-imidazol-1-yldodecyl)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(12-imidazol-1-yldodecyl)phenyl]-4-keto-butyric acid Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCCCCCCCN2C=CN=C2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCCCCCCCCCN2C=CN=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C25H36N2O3/c28-24(16-17-25(29)30)23-14-12-22(13-15-23)11-9-7-5-3-1-2-4-6-8-10-19-27-20-18-26-21-27/h12-15,18,20-21H,1-11,16-17,19H2,(H,29,30)