4-[2-[(4-pentylphenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(4-pentylphenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(4-pentylbenzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[oxo-(4-pentylphenyl)methyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(4-pentylbenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(4-amylbenzoyl)amino]phenoxy]phthalic acid Formula: C26H25NO6 MolecularWeight: 447.4798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C26H25NO6/c1-2-3-4-7-17-10-12-18(13-11-17)24(28)27-22-8-5-6-9-23(22)33-19-14-15-20(25(29)30)21(16-19)26(31)32/h5-6,8-16H,2-4,7H2,1H3,(H,27,28)(H,29,30)(H,31,32)