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3-[2-(4-methyl-2-pentyl-phenoxy)butanoylamino]benzoic acid

3-[2-(4-methyl-2-pentyl-phenoxy)butanoylamino]benzoic acid

Systemtic Name:3-[2-(4-methyl-2-pentyl-phenoxy)butanoylamino]benzoic acid
Openeye Name:3-[2-(4-methyl-2-pentyl-phenoxy)butanoylamino]benzoic acid
CAS Name:3-[[2-(4-methyl-2-pentylphenoxy)-1-oxobutyl]amino]benzoic acid
IUPAC Name:3-[2-(4-methyl-2-pentylphenoxy)butanoylamino]benzoic acid
Traditional Name:3-[2-(2-amyl-4-methyl-phenoxy)butanoylamino]benzoic acid
Formula: C23H29NO4
MolecularWeight: 383.48066
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)C)OC(CC)C(=O)NC2=CC=CC(=C2)C(=O)O


Isomeric SMILES

CCCCCC1=C(C=CC(=C1)C)OC(CC)C(=O)NC2=CC=CC(=C2)C(=O)O


InChI

InChI=1S/C23H29NO4/c1-4-6-7-9-17-14-16(3)12-13-21(17)28-20(5-2)22(25)24-19-11-8-10-18(15-19)23(26)27/h8,10-15,20H,4-7,9H2,1-3H3,(H,24,25)(H,26,27)


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