methyl 4-phenyl-2-[[4-(1,2,3,4-tetrazol-1-yl)phenyl]carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-phenyl-2-[[4-(1,2,3,4-tetrazol-1-yl)phenyl]carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-phenyl-2-[[4-(tetrazol-1-yl)benzoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 2-[[oxo-[4-(1-tetrazolyl)phenyl]methoxy]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[[4-(tetrazol-1-yl)benzoyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 4-phenyl-2-[[4-(tetrazol-1-yl)benzoyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C26H19N5O4 MolecularWeight: 465.46016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)N4C=NN=N4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)N4C=NN=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H19N5O4/c1-34-26(33)24-22(15-35-25(32)18-11-13-19(14-12-18)31-16-27-29-30-31)28-21-10-6-5-9-20(21)23(24)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3