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

Systemtic Name: 4-[(3,3-dimethyl-7-propan-2-yl-2H-1-benzofuran-5-yl)-ethyl-amino]benzoic acid Openeye Name: 4-[ethyl-(7-isopropyl-3,3-dimethyl-2H-benzofuran-5-yl)amino]benzoic acid CAS Name: 4-[(3,3-dimethyl-7-propan-2-yl-2H-benzofuran-5-yl)-ethylamino]benzoic acid IUPAC Name: 4-[(3,3-dimethyl-7-propan-2-yl-2H-1-benzofuran-5-yl)-ethylamino]benzoic acid Traditional Name: 4-[ethyl-(7-isopropyl-3,3-dimethyl-coumaran-5-yl)amino]benzoic acid Formula: C22H27NO3 MolecularWeight: 353.45468

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3/c1-6-23(16-9-7-15(8-10-16)21(24)25)17-11-18(14(2)3)20-19(12-17)22(4,5)13-26-20/h7-12,14H,6,13H2,1-5H3,(H,24,25)