4-[(7-tert-butyl-3,3,6-trimethyl-2H-1-benzofuran-5-yl)-propan-2-yl-amino]benzoic acid

Systemtic Name: 4-[(7-tert-butyl-3,3,6-trimethyl-2H-1-benzofuran-5-yl)-propan-2-yl-amino]benzoic acid Openeye Name: 4-[(7-tert-butyl-3,3,6-trimethyl-2H-benzofuran-5-yl)-isopropyl-amino]benzoic acid CAS Name: 4-[(7-tert-butyl-3,3,6-trimethyl-2H-benzofuran-5-yl)-propan-2-ylamino]benzoic acid IUPAC Name: 4-[(7-tert-butyl-3,3,6-trimethyl-2H-1-benzofuran-5-yl)-propan-2-ylamino]benzoic acid Traditional Name: 4-[(7-tert-butyl-3,3,6-trimethyl-coumaran-5-yl)-isopropyl-amino]benzoic acid Formula: C25H33NO3 MolecularWeight: 395.53442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C(C)(C)C)OCC2(C)C)N(C3=CC=C(C=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=C1C(C)(C)C)OCC2(C)C)N(C3=CC=C(C=C3)C(=O)O)C(C)C

InChI

InChI=1S/C25H33NO3/c1-15(2)26(18-11-9-17(10-12-18)23(27)28)20-13-19-22(29-14-25(19,7)8)21(16(20)3)24(4,5)6/h9-13,15H,14H2,1-8H3,(H,27,28)