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

Systemtic Name: methyl 4-methyl-2-[(4-pyrazol-1-ylphenyl)carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[(4-pyrazol-1-ylbenzoyl)oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[oxo-[4-(1-pyrazolyl)phenyl]methoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(4-pyrazol-1-ylbenzoyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[(4-pyrazol-1-ylbenzoyl)oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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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=CC=N4)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4/c1-15-18-6-3-4-7-19(18)25-20(21(15)23(28)29-2)14-30-22(27)16-8-10-17(11-9-16)26-13-5-12-24-26/h3-13H,14H2,1-2H3