O5,O6-dibutyl O1-(phenylmethyl) 4,5,6,7-tetrahydro-2H-isoindole-1,5,6-tricarboxylate

Systemtic Name: O5,O6-dibutyl O1-(phenylmethyl) 4,5,6,7-tetrahydro-2H-isoindole-1,5,6-tricarboxylate Openeye Name: O1-benzyl O5,O6-dibutyl 4,5,6,7-tetrahydro-2H-isoindole-1,5,6-tricarboxylate CAS Name: 4,5,6,7-tetrahydro-2H-isoindole-1,5,6-tricarboxylic acid O5,O6-dibutyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 5-O,6-O-dibutyl 4,5,6,7-tetrahydro-2H-isoindole-1,5,6-tricarboxylate Traditional Name: 4,5,6,7-tetrahydro-2H-isoindole-1,5,6-tricarboxylic acid O1-benzyl ester O5,O6-dibutyl ester Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CC2=CNC(=C2CC1C(=O)OCCCC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1CC2=CNC(=C2CC1C(=O)OCCCC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H33NO6/c1-3-5-12-31-24(28)21-14-19-16-27-23(26(30)33-17-18-10-8-7-9-11-18)20(19)15-22(21)25(29)32-13-6-4-2/h7-11,16,21-22,27H,3-6,12-15,17H2,1-2H3