(4-pyrazol-1-ylphenyl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanoate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-3-phenylpropanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-phthalimido-propionic acid (4-pyrazol-1-ylbenzyl) ester Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H21N3O4/c31-25-22-9-4-5-10-23(22)26(32)30(25)24(17-19-7-2-1-3-8-19)27(33)34-18-20-11-13-21(14-12-20)29-16-6-15-28-29/h1-16,24H,17-18H2/t24-/m0/s1