4-[4-(2-phenylbutanoylamino)phenoxy]phthalic acid

Systemtic Name: 4-[4-(2-phenylbutanoylamino)phenoxy]phthalic acid Openeye Name: 4-[4-(2-phenylbutanoylamino)phenoxy]phthalic acid CAS Name: 4-[4-[(1-oxo-2-phenylbutyl)amino]phenoxy]phthalic acid IUPAC Name: 4-[4-(2-phenylbutanoylamino)phenoxy]phthalic acid Traditional Name: 4-[4-(2-phenylbutanoylamino)phenoxy]phthalic acid Formula: C24H21NO6 MolecularWeight: 419.42664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C24H21NO6/c1-2-19(15-6-4-3-5-7-15)22(26)25-16-8-10-17(11-9-16)31-18-12-13-20(23(27)28)21(14-18)24(29)30/h3-14,19H,2H2,1H3,(H,25,26)(H,27,28)(H,29,30)