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2-[4-(octadecylamino)phenyl]carbonylpropanedioic acid

2-[4-(octadecylamino)phenyl]carbonylpropanedioic acid

Systemtic Name:2-[4-(octadecylamino)phenyl]carbonylpropanedioic acid
Openeye Name:2-[4-(octadecylamino)benzoyl]propanedioic acid
CAS Name:2-[[4-(octadecylamino)phenyl]-oxomethyl]propanedioic acid
IUPAC Name:2-[4-(octadecylamino)benzoyl]propanedioic acid
Traditional Name:2-[4-(stearylamino)benzoyl]malonic acid
Formula: C28H45NO5
MolecularWeight: 475.6606
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)C(C(=O)O)C(=O)O


InChI

InChI=1S/C28H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-24-20-18-23(19-21-24)26(30)25(27(31)32)28(33)34/h18-21,25,29H,2-17,22H2,1H3,(H,31,32)(H,33,34)


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