bis(2-methylpropyl) 2-[[4-(heptadecanoylamino)phenyl]methylidene]propanedioate

Systemtic Name: bis(2-methylpropyl) 2-[[4-(heptadecanoylamino)phenyl]methylidene]propanedioate Openeye Name: diisobutyl 2-[[4-(heptadecanoylamino)phenyl]methylene]propanedioate CAS Name: 2-[[4-(1-oxoheptadecylamino)phenyl]methylidene]propanedioic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) 2-[[4-(heptadecanoylamino)phenyl]methylidene]propanedioate Traditional Name: 2-[4-(heptadecanoylamino)benzylidene]malonic acid diisobutyl ester Formula: C35H57NO5 MolecularWeight: 571.83078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C=C(C(=O)OCC(C)C)C(=O)OCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C=C(C(=O)OCC(C)C)C(=O)OCC(C)C

InChI

InChI=1S/C35H57NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(37)36-31-23-21-30(22-24-31)25-32(34(38)40-26-28(2)3)35(39)41-27-29(4)5/h21-25,28-29H,6-20,26-27H2,1-5H3,(H,36,37)