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2-[4-(hexadecylamino)phenyl]carbonyloxybutanedioic acid

2-[4-(hexadecylamino)phenyl]carbonyloxybutanedioic acid

Systemtic Name:2-[4-(hexadecylamino)phenyl]carbonyloxybutanedioic acid
Openeye Name:2-[4-(hexadecylamino)benzoyl]oxybutanedioic acid
CAS Name:2-[[4-(hexadecylamino)phenyl]-oxomethoxy]butanedioic acid
IUPAC Name:2-[4-(hexadecylamino)benzoyl]oxybutanedioic acid
Traditional Name:2-[4-(cetylamino)benzoyl]oxysuccinic acid
Formula: C27H43NO6
MolecularWeight: 477.63342
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(CC(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(CC(=O)O)C(=O)O


InChI

InChI=1S/C27H43NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-23-18-16-22(17-19-23)27(33)34-24(26(31)32)21-25(29)30/h16-19,24,28H,2-15,20-21H2,1H3,(H,29,30)(H,31,32)


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