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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3/c1-15(2)25(17-10-8-16(9-11-17)22(26)27)18-12-19(23(3,4)5)21-20(13-18)24(6,7)14-28-21/h8-13,15H,14H2,1-7H3,(H,26,27)