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

Systemtic Name: 4-[(7-ethyl-3,3-dimethyl-2H-1-benzofuran-5-yl)amino]benzoic acid Openeye Name: 4-[(7-ethyl-3,3-dimethyl-2H-benzofuran-5-yl)amino]benzoic acid CAS Name: 4-[(7-ethyl-3,3-dimethyl-2H-benzofuran-5-yl)amino]benzoic acid IUPAC Name: 4-[(7-ethyl-3,3-dimethyl-2H-1-benzofuran-5-yl)amino]benzoic acid Traditional Name: 4-[(7-ethyl-3,3-dimethyl-coumaran-5-yl)amino]benzoic acid Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=C1)NC3=CC=C(C=C3)C(=O)O)C(CO2)(C)C

Isomeric SMILES

CCC1=C2C(=CC(=C1)NC3=CC=C(C=C3)C(=O)O)C(CO2)(C)C

InChI

InChI=1S/C19H21NO3/c1-4-12-9-15(10-16-17(12)23-11-19(16,2)3)20-14-7-5-13(6-8-14)18(21)22/h5-10,20H,4,11H2,1-3H3,(H,21,22)