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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)N(CC)C3=CC=C(C=C3)C(=O)O)C(CO2)(C)C

Isomeric SMILES

CCC1=C2C(=CC(=C1)N(CC)C3=CC=C(C=C3)C(=O)O)C(CO2)(C)C

InChI

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