[(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-phenylmethoxybenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-phenylmethoxybenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-benzyloxybenzoate CAS Name: 3-phenylmethoxybenzoic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-phenylmethoxybenzoate Traditional Name: 3-benzoxybenzoic acid [(1S)-2-keto-1-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4/c1-15-21(16(2)26(4)25-15)24-22(27)17(3)30-23(28)19-11-8-12-20(13-19)29-14-18-9-6-5-7-10-18/h5-13,17H,14H2,1-4H3,(H,24,27)/t17-/m0/s1