methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[oxo-[4-(1-pyrazolylmethyl)phenyl]methoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=CC=C(C=C3)CN4C=CC=N4)C(=O)OC

InChI

InChI=1S/C24H21N3O4/c1-16-19-6-3-4-7-20(19)26-21(22(16)24(29)30-2)15-31-23(28)18-10-8-17(9-11-18)14-27-13-5-12-25-27/h3-13H,14-15H2,1-2H3