(E)-3-(3-octylphenyl)-N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide

Systemtic Name: (E)-3-(3-octylphenyl)-N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide Openeye Name: (E)-3-(3-octylphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide CAS Name: (E)-3-(3-octylphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-propenamide IUPAC Name: (E)-3-(3-octylphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide Traditional Name: (E)-3-(3-octylphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]acrylamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC(=C1)C=CC(=O)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

Isomeric SMILES

CCCCCCCCC1=CC=CC(=C1)/C=C/C(=O)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

InChI

InChI=1S/C26H31N5O3/c1-2-3-4-5-6-7-10-19-11-8-12-20(17-19)15-16-24(32)27-21-13-9-14-22-25(21)34-23(18-33-22)26-28-30-31-29-26/h8-9,11-17,23H,2-7,10,18H2,1H3,(H,27,32)(H,28,29,30,31)/b16-15+