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

Systemtic Name: [2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-(phenoxymethyl)benzoate Openeye Name: [2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 4-(phenoxymethyl)benzoate CAS Name: 4-(phenoxymethyl)benzoic 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-(phenoxymethyl)benzoate Traditional Name: 4-(phenoxymethyl)benzoic acid [2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)COC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)COC(=O)C2=CC=C(C=C2)COC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-15-21(16(2)25(3)24-15)23-20(26)14-29-22(27)18-11-9-17(10-12-18)13-28-19-7-5-4-6-8-19/h4-12H,13-14H2,1-3H3,(H,23,26)