1-[4-[3-[2-chloranyl-4-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-[3-[2-chloranyl-4-(2H-1,2,3,4-tetrazol-5-yl)phenoxy]propoxy]-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-[3-[2-chloro-4-(2H-tetrazol-5-yl)phenoxy]propoxy]-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-[3-[2-chloro-4-(2H-tetrazol-5-yl)phenoxy]propoxy]-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-[3-[2-chloro-4-(2H-tetrazol-5-yl)phenoxy]propoxy]-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-[3-[2-chloro-4-(2H-tetrazol-5-yl)phenoxy]propoxy]-2-hydroxy-3-propyl-phenyl]ethanone Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C3=NNN=N3)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C3=NNN=N3)Cl

InChI

InChI=1S/C21H23ClN4O4/c1-3-5-16-18(9-7-15(13(2)27)20(16)28)29-10-4-11-30-19-8-6-14(12-17(19)22)21-23-25-26-24-21/h6-9,12,28H,3-5,10-11H2,1-2H3,(H,23,24,25,26)