[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-phenylmethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-phenylmethoxybenzoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-16(2)25-20(12-13-23-25)24-21(26)15-29-22(27)18-8-10-19(11-9-18)28-14-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,24,26)