(2S)-2-[5-[3-(4-tert-butylphenoxy)phenyl]-2-oxidanylidene-3-prop-2-enyl-imidazol-1-yl]hexanoic acid

Systemtic Name: (2S)-2-[5-[3-(4-tert-butylphenoxy)phenyl]-2-oxidanylidene-3-prop-2-enyl-imidazol-1-yl]hexanoic acid Openeye Name: (2S)-2-[3-allyl-5-[3-(4-tert-butylphenoxy)phenyl]-2-oxo-imidazol-1-yl]hexanoic acid CAS Name: (2S)-2-[5-[3-(4-tert-butylphenoxy)phenyl]-2-oxo-3-prop-2-enyl-1-imidazolyl]hexanoic acid IUPAC Name: (2S)-2-[5-[3-(4-tert-butylphenoxy)phenyl]-2-oxo-3-prop-2-enylimidazol-1-yl]hexanoic acid Traditional Name: (2S)-2-[3-allyl-5-[3-(4-tert-butylphenoxy)phenyl]-2-keto-4-imidazolin-1-yl]hexanoic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C(=CN(C1=O)CC=C)C2=CC(=CC=C2)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCC[C@@H](C(=O)O)N1C(=CN(C1=O)CC=C)C2=CC(=CC=C2)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H34N2O4/c1-6-8-12-24(26(31)32)30-25(19-29(17-7-2)27(30)33)20-10-9-11-23(18-20)34-22-15-13-21(14-16-22)28(3,4)5/h7,9-11,13-16,18-19,24H,2,6,8,12,17H2,1,3-5H3,(H,31,32)/t24-/m0/s1