4-[4-(8-imidazol-1-yloctyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(8-imidazol-1-yloctyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(8-imidazol-1-yloctyl)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[8-(1-imidazolyl)octyl]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(8-imidazol-1-yloctyl)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(8-imidazol-1-yloctyl)phenyl]-4-keto-butyric acid Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCCCCCN2C=CN=C2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCCCCCN2C=CN=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C21H28N2O3/c24-20(12-13-21(25)26)19-10-8-18(9-11-19)7-5-3-1-2-4-6-15-23-16-14-22-17-23/h8-11,14,16-17H,1-7,12-13,15H2,(H,25,26)