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2-[4-(15-methylhexadecylamino)phenyl]carbonylpropanedioic acid

2-[4-(15-methylhexadecylamino)phenyl]carbonylpropanedioic acid

Systemtic Name:2-[4-(15-methylhexadecylamino)phenyl]carbonylpropanedioic acid
Openeye Name:2-[4-(15-methylhexadecylamino)benzoyl]propanedioic acid
CAS Name:2-[[4-(15-methylhexadecylamino)phenyl]-oxomethyl]propanedioic acid
IUPAC Name:2-[4-(15-methylhexadecylamino)benzoyl]propanedioic acid
Traditional Name:2-[4-(15-methylhexadecylamino)benzoyl]malonic acid
Formula: C27H43NO5
MolecularWeight: 461.63402
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)O)C(=O)O


Isomeric SMILES

CC(C)CCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)O)C(=O)O


InChI

InChI=1S/C27H43NO5/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-20-28-23-18-16-22(17-19-23)25(29)24(26(30)31)27(32)33/h16-19,21,24,28H,3-15,20H2,1-2H3,(H,30,31)(H,32,33)


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