4-[5-[4-(4-oxidanylidene-8-propyl-chromen-7-yl)oxybutyl]-1,2,3,4-tetrazol-2-yl]butanoate

Systemtic Name: 4-[5-[4-(4-oxidanylidene-8-propyl-chromen-7-yl)oxybutyl]-1,2,3,4-tetrazol-2-yl]butanoate Openeye Name: 4-[5-[4-(4-oxo-8-propyl-chromen-7-yl)oxybutyl]tetrazol-2-yl]butanoate CAS Name: 4-[5-[4-[(4-oxo-8-propyl-1-benzopyran-7-yl)oxy]butyl]-2-tetrazolyl]butanoate IUPAC Name: 4-[5-[4-(4-oxo-8-propylchromen-7-yl)oxybutyl]tetrazol-2-yl]butanoate Traditional Name: 4-[5-[4-(4-keto-8-propyl-chromen-7-yl)oxybutyl]tetrazol-2-yl]butyrate Formula: C21H25N4O5- MolecularWeight: 413.447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC=CC2=O)OCCCCC3=NN(N=N3)CCCC(=O)[O-]

Isomeric SMILES

CCCC1=C(C=CC2=C1OC=CC2=O)OCCCCC3=NN(N=N3)CCCC(=O)[O-]

InChI

InChI=1S/C21H26N4O5/c1-2-6-16-18(10-9-15-17(26)11-14-30-21(15)16)29-13-4-3-7-19-22-24-25(23-19)12-5-8-20(27)28/h9-11,14H,2-8,12-13H2,1H3,(H,27,28)/p-1