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3-[4-[3-(4-tert-butylphenyl)propanoylamino]phenyl]benzoic acid

3-[4-[3-(4-tert-butylphenyl)propanoylamino]phenyl]benzoic acid

Systemtic Name:3-[4-[3-(4-tert-butylphenyl)propanoylamino]phenyl]benzoic acid
Openeye Name:3-[4-[3-(4-tert-butylphenyl)propanoylamino]phenyl]benzoic acid
CAS Name:3-[4-[[3-(4-tert-butylphenyl)-1-oxopropyl]amino]phenyl]benzoic acid
IUPAC Name:3-[4-[3-(4-tert-butylphenyl)propanoylamino]phenyl]benzoic acid
Traditional Name:3-[4-[3-(4-tert-butylphenyl)propanoylamino]phenyl]benzoic acid
Formula: C26H27NO3
MolecularWeight: 401.49748
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)O


Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)O


InChI

InChI=1S/C26H27NO3/c1-26(2,3)22-12-7-18(8-13-22)9-16-24(28)27-23-14-10-19(11-15-23)20-5-4-6-21(17-20)25(29)30/h4-8,10-15,17H,9,16H2,1-3H3,(H,27,28)(H,29,30)


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