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

Systemtic Name: 4-[(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-ethyl-amino]benzoic acid Openeye Name: 4-[(7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)-ethyl-amino]benzoic acid CAS Name: 4-[(7-tert-butyl-3,3-dimethyl-2H-benzofuran-5-yl)-ethylamino]benzoic acid IUPAC Name: 4-[(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-ethylamino]benzoic acid Traditional Name: 4-[(7-tert-butyl-3,3-dimethyl-coumaran-5-yl)-ethyl-amino]benzoic acid Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)O)C2=CC(=C3C(=C2)C(CO3)(C)C)C(C)(C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)O)C2=CC(=C3C(=C2)C(CO3)(C)C)C(C)(C)C

InChI

InChI=1S/C23H29NO3/c1-7-24(16-10-8-15(9-11-16)21(25)26)17-12-18(22(2,3)4)20-19(13-17)23(5,6)14-27-20/h8-13H,7,14H2,1-6H3,(H,25,26)