[1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(oxolan-2-ylmethoxy)benzoate Openeye Name: [1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 3-(2-oxolanylmethoxy)benzoic acid [1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(oxolan-2-ylmethoxy)benzoate Traditional Name: 3-(tetrahydrofurfuryloxy)benzoic acid [2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)OCC3CCCO3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)OCC3CCCO3

InChI

InChI=1S/C21H27N3O5/c1-13-19(14(2)24(4)23-13)22-20(25)15(3)29-21(26)16-7-5-8-17(11-16)28-12-18-9-6-10-27-18/h5,7-8,11,15,18H,6,9-10,12H2,1-4H3,(H,22,25)