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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)N(C3=CC=C(C=C3)C(=O)O)C(C)C)C(CO2)(C)C

Isomeric SMILES

CC1=C2C(=CC(=C1)N(C3=CC=C(C=C3)C(=O)O)C(C)C)C(CO2)(C)C

InChI

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