[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C19H23N3O4 MolecularWeight: 357.40362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCC3CCCO3)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NCC3CCCO3)C

InChI

InChI=1S/C19H23N3O4/c1-13-10-14(2)22(21-13)16-7-5-15(6-8-16)19(24)26-12-18(23)20-11-17-4-3-9-25-17/h5-8,10,17H,3-4,9,11-12H2,1-2H3,(H,20,23)