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

Systemtic Name: methyl 4-methyl-2-[[4-(1,2,4-triazol-1-yl)phenyl]carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)C(=O)OC

InChI

InChI=1S/C22H18N4O4/c1-14-17-5-3-4-6-18(17)25-19(20(14)22(28)29-2)11-30-21(27)15-7-9-16(10-8-15)26-13-23-12-24-26/h3-10,12-13H,11H2,1-2H3