2-[4-(dodecylamino)phenyl]carbonylpropanedioate

Systemtic Name: 2-[4-(dodecylamino)phenyl]carbonylpropanedioate Openeye Name: 2-[4-(dodecylamino)benzoyl]propanedioate CAS Name: 2-[[4-(dodecylamino)phenyl]-oxomethyl]propanedioate IUPAC Name: 2-[4-(dodecylamino)benzoyl]propanedioate Traditional Name: 2-[4-(laurylamino)benzoyl]malonate Formula: C22H31NO5-2 MolecularWeight: 389.48524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H33NO5/c1-2-3-4-5-6-7-8-9-10-11-16-23-18-14-12-17(13-15-18)20(24)19(21(25)26)22(27)28/h12-15,19,23H,2-11,16H2,1H3,(H,25,26)(H,27,28)/p-2