[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 3-(p-tolyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(p-tolyl)-1H-pyrazole-5-carboxylic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC(=O)NCC3CCCO3

InChI

InChI=1S/C18H21N3O4/c1-12-4-6-13(7-5-12)15-9-16(21-20-15)18(23)25-11-17(22)19-10-14-3-2-8-24-14/h4-7,9,14H,2-3,8,10-11H2,1H3,(H,19,22)(H,20,21)