ethyl 4-methyl-2-[[5-(2-methylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[5-(2-methylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[5-(o-tolyl)tetrazol-2-yl]methyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[5-(2-methylphenyl)-2-tetrazolyl]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[5-(o-tolyl)tetrazol-2-yl]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3N=C(N=N3)C4=CC=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3N=C(N=N3)C4=CC=CC=C4C)C

InChI

InChI=1S/C22H21N5O2/c1-4-29-22(28)20-15(3)17-11-7-8-12-18(17)23-19(20)13-27-25-21(24-26-27)16-10-6-5-9-14(16)2/h5-12H,4,13H2,1-3H3