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2-[[dodecyl(phenyl)amino]methyl]propanedioic acid

2-[[dodecyl(phenyl)amino]methyl]propanedioic acid

Systemtic Name:2-[[dodecyl(phenyl)amino]methyl]propanedioic acid
Openeye Name:2-[(N-dodecylanilino)methyl]propanedioic acid
CAS Name:2-[(N-dodecylanilino)methyl]propanedioic acid
IUPAC Name:2-[(N-dodecylanilino)methyl]propanedioic acid
Traditional Name:2-[(N-laurylanilino)methyl]malonic acid
Formula: C22H35NO4
MolecularWeight: 377.5176
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CC(C(=O)O)C(=O)O)C1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCN(CC(C(=O)O)C(=O)O)C1=CC=CC=C1


InChI

InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-14-17-23(19-15-12-11-13-16-19)18-20(21(24)25)22(26)27/h11-13,15-16,20H,2-10,14,17-18H2,1H3,(H,24,25)(H,26,27)


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