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4-(henicosanoylamino)-3-methyl-benzoic acid

4-(henicosanoylamino)-3-methyl-benzoic acid

Systemtic Name:4-(henicosanoylamino)-3-methyl-benzoic acid
Openeye Name:4-(henicosanoylamino)-3-methyl-benzoic acid
CAS Name:3-methyl-4-(1-oxoheneicosylamino)benzoic acid
IUPAC Name:4-(henicosanoylamino)-3-methylbenzoic acid
Traditional Name:4-(heneicosanoylamino)-3-methyl-benzoic acid
Formula: C29H49NO3
MolecularWeight: 459.70426
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)C


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)NC1=C(C=C(C=C1)C(=O)O)C


InChI

InChI=1S/C29H49NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(31)30-27-23-22-26(29(32)33)24-25(27)2/h22-24H,3-21H2,1-2H3,(H,30,31)(H,32,33)


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