4-[(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)amino]benzoic acid

Systemtic Name: 4-[(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)amino]benzoic acid Openeye Name: 4-[(7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)amino]benzoic acid CAS Name: 4-[(7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)amino]benzoic acid IUPAC Name: 4-[(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)amino]benzoic acid Traditional Name: 4-[(7-tert-butyl-3,3-dimethyl-coumaran-5-yl)amino]benzoic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C21)NC3=CC=C(C=C3)C(=O)O)C(C)(C)C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C21)NC3=CC=C(C=C3)C(=O)O)C(C)(C)C)C

InChI

InChI=1S/C21H25NO3/c1-20(2,3)16-10-15(11-17-18(16)25-12-21(17,4)5)22-14-8-6-13(7-9-14)19(23)24/h6-11,22H,12H2,1-5H3,(H,23,24)