2-[4-(hexadecan-2-ylamino)phenyl]carbonylpropanedioate

Systemtic Name: 2-[4-(hexadecan-2-ylamino)phenyl]carbonylpropanedioate Openeye Name: 2-[4-(1-methylpentadecylamino)benzoyl]propanedioate CAS Name: 2-[[4-(hexadecan-2-ylamino)phenyl]-oxomethyl]propanedioate IUPAC Name: 2-[4-(hexadecan-2-ylamino)benzoyl]propanedioate Traditional Name: 2-[4-(1-methylpentadecylamino)benzoyl]malonate Formula: C26H39NO5-2 MolecularWeight: 445.59156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C(=O)C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C(=O)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C26H41NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(2)27-22-18-16-21(17-19-22)24(28)23(25(29)30)26(31)32/h16-20,23,27H,3-15H2,1-2H3,(H,29,30)(H,31,32)/p-2