4-[5-(11-imidazol-1-ylundecyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(11-imidazol-1-ylundecyl)thiophen-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(11-imidazol-1-ylundecyl)-2-thienyl]-4-oxo-butanoic acid CAS Name: 4-[5-[11-(1-imidazolyl)undecyl]-2-thiophenyl]-4-oxobutanoic acid IUPAC Name: 4-[5-(11-imidazol-1-ylundecyl)thiophen-2-yl]-4-oxobutanoic acid Traditional Name: 4-[5-(11-imidazol-1-ylundecyl)-2-thienyl]-4-keto-butyric acid Formula: C22H32N2O3S MolecularWeight: 404.56608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCCCCCCCCCC2=CC=C(S2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CN(C=N1)CCCCCCCCCCCC2=CC=C(S2)C(=O)CCC(=O)O

InChI

InChI=1S/C22H32N2O3S/c25-20(12-14-22(26)27)21-13-11-19(28-21)10-8-6-4-2-1-3-5-7-9-16-24-17-15-23-18-24/h11,13,15,17-18H,1-10,12,14,16H2,(H,26,27)