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

Systemtic Name: 4-[(3,3-dimethyl-7-propan-2-yl-2H-1-benzofuran-5-yl)-methyl-amino]benzoic acid Openeye Name: 4-[(7-isopropyl-3,3-dimethyl-2H-benzofuran-5-yl)-methyl-amino]benzoic acid CAS Name: 4-[(3,3-dimethyl-7-propan-2-yl-2H-benzofuran-5-yl)-methylamino]benzoic acid IUPAC Name: 4-[(3,3-dimethyl-7-propan-2-yl-2H-1-benzofuran-5-yl)-methylamino]benzoic acid Traditional Name: 4-[(7-isopropyl-3,3-dimethyl-coumaran-5-yl)-methyl-amino]benzoic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-13(2)17-10-16(11-18-19(17)25-12-21(18,3)4)22(5)15-8-6-14(7-9-15)20(23)24/h6-11,13H,12H2,1-5H3,(H,23,24)