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2-[4-[hexyl(3-methylbutyl)amino]-2-oxidanyl-phenyl]carbonylbenzoic acid

2-[4-[hexyl(3-methylbutyl)amino]-2-oxidanyl-phenyl]carbonylbenzoic acid

Systemtic Name:2-[4-[hexyl(3-methylbutyl)amino]-2-oxidanyl-phenyl]carbonylbenzoic acid
Openeye Name:2-[4-[hexyl(isopentyl)amino]-2-hydroxy-benzoyl]benzoic acid
CAS Name:2-[[4-[hexyl(3-methylbutyl)amino]-2-hydroxyphenyl]-oxomethyl]benzoic acid
IUPAC Name:2-[4-[hexyl(3-methylbutyl)amino]-2-hydroxybenzoyl]benzoic acid
Traditional Name:2-[4-[hexyl(isoamyl)amino]-2-hydroxy-benzoyl]benzoic acid
Formula: C25H33NO4
MolecularWeight: 411.53382
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCC(C)C)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O


Isomeric SMILES

CCCCCCN(CCC(C)C)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O


InChI

InChI=1S/C25H33NO4/c1-4-5-6-9-15-26(16-14-18(2)3)19-12-13-22(23(27)17-19)24(28)20-10-7-8-11-21(20)25(29)30/h7-8,10-13,17-18,27H,4-6,9,14-16H2,1-3H3,(H,29,30)


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