(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-imidazol-1-yl-hex-2-enamide

Systemtic Name: (E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-imidazol-1-yl-hex-2-enamide Openeye Name: (E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-imidazol-1-yl-hex-2-enamide CAS Name: (E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1-imidazolyl)-2-hexenamide IUPAC Name: (E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-imidazol-1-ylhex-2-enamide Traditional Name: (E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-imidazol-1-yl-hex-2-enamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=CC(=O)NC2=CC3=C(C=C2)OCCO3)CCCN4C=CN=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C(=C/C(=O)NC2=CC3=C(C=C2)OCCO3)/CCCN4C=CN=C4

InChI

InChI=1S/C27H31N3O3/c1-27(2,3)22-8-6-20(7-9-22)21(5-4-13-30-14-12-28-19-30)17-26(31)29-23-10-11-24-25(18-23)33-16-15-32-24/h6-12,14,17-19H,4-5,13,15-16H2,1-3H3,(H,29,31)/b21-17+