[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-phenoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-phenoxybenzoate Openeye Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic acid [2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)COC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-14-20(15(2)24(3)23-14)22-19(25)13-27-21(26)16-9-11-18(12-10-16)28-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,22,25)