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

Systemtic Name: 4-[(1,1,3,3-tetramethyl-2-benzofuran-5-yl)amino]benzoic acid Openeye Name: 4-[(1,1,3,3-tetramethylisobenzofuran-5-yl)amino]benzoic acid CAS Name: 4-[(1,1,3,3-tetramethyl-5-isobenzofuranyl)amino]benzoic acid IUPAC Name: 4-[(1,1,3,3-tetramethyl-2-benzofuran-5-yl)amino]benzoic acid Traditional Name: 4-[(1,1,3,3-tetramethylphthalan-5-yl)amino]benzoic acid Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)NC3=CC=C(C=C3)C(=O)O)C(O1)(C)C)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)NC3=CC=C(C=C3)C(=O)O)C(O1)(C)C)C

InChI

InChI=1S/C19H21NO3/c1-18(2)15-10-9-14(11-16(15)19(3,4)23-18)20-13-7-5-12(6-8-13)17(21)22/h5-11,20H,1-4H3,(H,21,22)