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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)N(C3=CC=C(C=C3)C(=O)O)C(C)C)C(CO2)(C)C

Isomeric SMILES

CCC1=C2C(=CC(=C1)N(C3=CC=C(C=C3)C(=O)O)C(C)C)C(CO2)(C)C

InChI

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