2-[4-[butyl(2-oxidanylbutyl)amino]phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[butyl(2-oxidanylbutyl)amino]phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[butyl(2-hydroxybutyl)amino]benzoyl]benzoic acid CAS Name: 2-[[4-[butyl(2-hydroxybutyl)amino]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[butyl(2-hydroxybutyl)amino]benzoyl]benzoic acid Traditional Name: 2-[4-[butyl(2-hydroxybutyl)amino]benzoyl]benzoic acid Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(CC)O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCN(CC(CC)O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C22H27NO4/c1-3-5-14-23(15-18(24)4-2)17-12-10-16(11-13-17)21(25)19-8-6-7-9-20(19)22(26)27/h6-13,18,24H,3-5,14-15H2,1-2H3,(H,26,27)