[(1R)-2-(2-methoxyethyl)-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl] 5-methyl-1,3-diphenyl-pyrazole-4-carboxylate

Systemtic Name: [(1R)-2-(2-methoxyethyl)-3-oxidanylidene-4,5,6,7-tetrahydro-1H-isoindol-1-yl] 5-methyl-1,3-diphenyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(2-methoxyethyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl] 5-methyl-1,3-diphenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1,3-diphenyl-4-pyrazolecarboxylic acid [(1R)-2-(2-methoxyethyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl] ester IUPAC Name: [(1R)-2-(2-methoxyethyl)-3-oxo-4,5,6,7-tetrahydro-1H-isoindol-1-yl] 5-methyl-1,3-diphenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1,3-diphenyl-pyrazole-4-carboxylic acid [(1R)-3-keto-2-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-isoindol-1-yl] ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC4C5=C(CCCC5)C(=O)N4CCOC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O[C@@H]4C5=C(CCCC5)C(=O)N4CCOC

InChI

InChI=1S/C28H29N3O4/c1-19-24(25(20-11-5-3-6-12-20)29-31(19)21-13-7-4-8-14-21)28(33)35-27-23-16-10-9-15-22(23)26(32)30(27)17-18-34-2/h3-8,11-14,27H,9-10,15-18H2,1-2H3/t27-/m1/s1