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1,1,3,3-tetraethyl-2-(phenylcarbonyl)isoindole-5,6-dicarboxylic acid

1,1,3,3-tetraethyl-2-(phenylcarbonyl)isoindole-5,6-dicarboxylic acid

Systemtic Name:1,1,3,3-tetraethyl-2-(phenylcarbonyl)isoindole-5,6-dicarboxylic acid
Openeye Name:2-benzoyl-1,1,3,3-tetraethyl-isoindoline-5,6-dicarboxylic acid
CAS Name:2-benzoyl-1,1,3,3-tetraethylisoindole-5,6-dicarboxylic acid
IUPAC Name:2-benzoyl-1,1,3,3-tetraethylisoindole-5,6-dicarboxylic acid
Traditional Name:2-benzoyl-1,1,3,3-tetraethyl-isoindoline-5,6-dicarboxylic acid
Formula: C25H29NO5
MolecularWeight: 423.50146
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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=C(C(=C2)C(=O)O)C(=O)O)C(N1C(=O)C3=CC=CC=C3)(CC)CC)CC


Isomeric SMILES

CCC1(C2=C(C=C(C(=C2)C(=O)O)C(=O)O)C(N1C(=O)C3=CC=CC=C3)(CC)CC)CC


InChI

InChI=1S/C25H29NO5/c1-5-24(6-2)19-14-17(22(28)29)18(23(30)31)15-20(19)25(7-3,8-4)26(24)21(27)16-12-10-9-11-13-16/h9-15H,5-8H2,1-4H3,(H,28,29)(H,30,31)


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