(1-phenylpyrazol-4-yl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: (1-phenylpyrazol-4-yl)methyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-3-methylbutanoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-phthalimido-butyric acid (1-phenylpyrazol-4-yl)methyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CN(N=C1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CN(N=C1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H21N3O4/c1-15(2)20(26-21(27)18-10-6-7-11-19(18)22(26)28)23(29)30-14-16-12-24-25(13-16)17-8-4-3-5-9-17/h3-13,15,20H,14H2,1-2H3/t20-/m0/s1