ethyl 4-[5-[[2-(1-imidazol-1-ylethenyl)phenoxy]methyl]-1,2,3,4-tetrazol-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[[2-(1-imidazol-1-ylethenyl)phenoxy]methyl]-1,2,3,4-tetrazol-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[[2-(1-imidazol-1-ylvinyl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-[[2-[1-(1-imidazolyl)ethenyl]phenoxy]methyl]-1-tetrazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[[2-(1-imidazol-1-ylethenyl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[[2-(1-imidazol-1-ylvinyl)phenoxy]methyl]tetrazol-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H25N7O3 MolecularWeight: 423.4683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=NN=N2)COC3=CC=CC=C3C(=C)N4C=CN=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=NN=N2)COC3=CC=CC=C3C(=C)N4C=CN=C4

InChI

InChI=1S/C21H25N7O3/c1-3-30-21(29)26-11-8-17(9-12-26)28-20(23-24-25-28)14-31-19-7-5-4-6-18(19)16(2)27-13-10-22-15-27/h4-7,10,13,15,17H,2-3,8-9,11-12,14H2,1H3