(1S,2R)-2-[[(1S)-1-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-3,4-dihyd...
C26H26N2O5
1432500-66-7 Copyright (C) 2025 ACS
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    5.6471    8.6237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
1432500-66-7

> <ca.index.name>
Cyclohexanecarboxylic acid, 2-[[(1S)-1-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl]-, (1S,2R)-

> <molecular.formula>
C26H26N2O5

> <smiles.canonical>
O=C(O)C1CCCCC1C(=O)N2CCC=3C=CC=CC3C2CN4C(=O)C=5C=CC=CC5C4=O

> <smiles.isomeric>
C([C@@H]1C=2C(CCN1C(=O)[C@H]3[C@@H](C(O)=O)CCCC3)=CC=CC2)N4C(=O)C=5C(C4=O)=CC=CC5

> <molecular.weight>
446.50

> <boiling.point.predicted>
693.105±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.355±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.690±0.44    Most Acidic Temp: 25 °C

$$$$
