(E)-3-(4-tert-butylphenyl)-N-[(3S)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enamide

Systemtic Name: (E)-3-(4-tert-butylphenyl)-N-[(3S)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enamide Openeye Name: (E)-3-(4-tert-butylphenyl)-N-[(3S)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enamide CAS Name: (E)-3-(4-tert-butylphenyl)-N-[(3S)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-propenamide IUPAC Name: (E)-3-(4-tert-butylphenyl)-N-[(3S)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enamide Traditional Name: (E)-3-(4-tert-butylphenyl)-N-[(3S)-3-methylol-2,3-dihydro-1,4-benzodioxin-6-yl]acrylamide Formula: C22H25NO4 MolecularWeight: 367.4382

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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)OCC(O3)CO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)OC[C@@H](O3)CO

InChI

InChI=1S/C22H25NO4/c1-22(2,3)16-7-4-15(5-8-16)6-11-21(25)23-17-9-10-19-20(12-17)27-18(13-24)14-26-19/h4-12,18,24H,13-14H2,1-3H3,(H,23,25)/b11-6+/t18-/m0/s1