4-[propyl-(1,1,3,3-tetramethyl-2-benzofuran-5-yl)amino]benzoic acid

Systemtic Name: 4-[propyl-(1,1,3,3-tetramethyl-2-benzofuran-5-yl)amino]benzoic acid Openeye Name: 4-[propyl-(1,1,3,3-tetramethylisobenzofuran-5-yl)amino]benzoic acid CAS Name: 4-[propyl-(1,1,3,3-tetramethyl-5-isobenzofuranyl)amino]benzoic acid IUPAC Name: 4-[propyl-(1,1,3,3-tetramethyl-2-benzofuran-5-yl)amino]benzoic acid Traditional Name: 4-[propyl-(1,1,3,3-tetramethylphthalan-5-yl)amino]benzoic acid Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(OC3(C)C)(C)C

Isomeric SMILES

CCCN(C1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(OC3(C)C)(C)C

InChI

InChI=1S/C22H27NO3/c1-6-13-23(16-9-7-15(8-10-16)20(24)25)17-11-12-18-19(14-17)22(4,5)26-21(18,2)3/h7-12,14H,6,13H2,1-5H3,(H,24,25)