ethyl 4-methyl-2-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(tetrazol-1-yl)phenoxy]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(1-tetrazolyl)phenoxy]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-(tetrazol-1-yl)phenoxy]methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-(tetrazol-1-yl)phenoxy]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC3=CC=C(C=C3)N4C=NN=N4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC3=CC=C(C=C3)N4C=NN=N4)C

InChI

InChI=1S/C21H19N5O3/c1-3-28-21(27)20-14(2)17-6-4-5-7-18(17)23-19(20)12-29-16-10-8-15(9-11-16)26-13-22-24-25-26/h4-11,13H,3,12H2,1-2H3