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

Systemtic Name: 4-[(7-tert-butyl-3,3,6-trimethyl-2H-1-benzofuran-5-yl)-ethyl-amino]benzoic acid Openeye Name: 4-[(7-tert-butyl-3,3,6-trimethyl-2H-benzofuran-5-yl)-ethyl-amino]benzoic acid CAS Name: 4-[(7-tert-butyl-3,3,6-trimethyl-2H-benzofuran-5-yl)-ethylamino]benzoic acid IUPAC Name: 4-[(7-tert-butyl-3,3,6-trimethyl-2H-1-benzofuran-5-yl)-ethylamino]benzoic acid Traditional Name: 4-[(7-tert-butyl-3,3,6-trimethyl-coumaran-5-yl)-ethyl-amino]benzoic acid Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3/c1-8-25(17-11-9-16(10-12-17)22(26)27)19-13-18-21(28-14-24(18,6)7)20(15(19)2)23(3,4)5/h9-13H,8,14H2,1-7H3,(H,26,27)