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

Systemtic Name: 4-[ethyl-(1,1,3,3-tetramethyl-2-benzofuran-5-yl)amino]benzoic acid Openeye Name: 4-[ethyl-(1,1,3,3-tetramethylisobenzofuran-5-yl)amino]benzoic acid CAS Name: 4-[ethyl-(1,1,3,3-tetramethyl-5-isobenzofuranyl)amino]benzoic acid IUPAC Name: 4-[ethyl-(1,1,3,3-tetramethyl-2-benzofuran-5-yl)amino]benzoic acid Traditional Name: 4-[ethyl-(1,1,3,3-tetramethylphthalan-5-yl)amino]benzoic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-6-22(15-9-7-14(8-10-15)19(23)24)16-11-12-17-18(13-16)21(4,5)25-20(17,2)3/h7-13H,6H2,1-5H3,(H,23,24)