O5-methyl O1,O1-bis(prop-2-enyl) 1-[(2-cyanophenyl)methyl]pentane-1,1,5-tricarboxylate

Systemtic Name: O5-methyl O1,O1-bis(prop-2-enyl) 1-[(2-cyanophenyl)methyl]pentane-1,1,5-tricarboxylate Openeye Name: O1,O1-diallyl O5-methyl 1-[(2-cyanophenyl)methyl]pentane-1,1,5-tricarboxylate CAS Name: 1-[(2-cyanophenyl)methyl]pentane-1,1,5-tricarboxylic acid O5-methyl ester O1,O1-bis(prop-2-enyl) ester IUPAC Name: 5-O-methyl 1-O,1-O-bis(prop-2-enyl) 1-[(2-cyanophenyl)methyl]pentane-1,1,5-tricarboxylate Traditional Name: 1-(2-cyanobenzyl)pentane-1,1,5-tricarboxylic acid O1,O1-diallyl ester O5-methyl ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(CC1=CC=CC=C1C#N)(C(=O)OCC=C)C(=O)OCC=C

Isomeric SMILES

COC(=O)CCCCC(CC1=CC=CC=C1C#N)(C(=O)OCC=C)C(=O)OCC=C

InChI

InChI=1S/C23H27NO6/c1-4-14-29-21(26)23(22(27)30-15-5-2,13-9-8-12-20(25)28-3)16-18-10-6-7-11-19(18)17-24/h4-7,10-11H,1-2,8-9,12-16H2,3H3