N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]-4-undecyl-benzamide

Systemtic Name: N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]-4-undecyl-benzamide Openeye Name: N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]-4-undecyl-benzamide CAS Name: N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]-4-undecylbenzamide IUPAC Name: N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]-4-undecylbenzamide Traditional Name: N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]-4-undecyl-benzamide Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C(=O)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

InChI

InChI=1S/C27H35N5O3/c1-2-3-4-5-6-7-8-9-10-12-20-15-17-21(18-16-20)27(33)28-22-13-11-14-23-25(22)35-24(19-34-23)26-29-31-32-30-26/h11,13-18,24H,2-10,12,19H2,1H3,(H,28,33)(H,29,30,31,32)