4-[butyl-(1,1,3,3-tetramethyl-2-benzofuran-5-yl)amino]benzoic acid

Systemtic Name: 4-[butyl-(1,1,3,3-tetramethyl-2-benzofuran-5-yl)amino]benzoic acid Openeye Name: 4-[butyl-(1,1,3,3-tetramethylisobenzofuran-5-yl)amino]benzoic acid CAS Name: 4-[butyl-(1,1,3,3-tetramethyl-5-isobenzofuranyl)amino]benzoic acid IUPAC Name: 4-[butyl-(1,1,3,3-tetramethyl-2-benzofuran-5-yl)amino]benzoic acid Traditional Name: 4-[butyl-(1,1,3,3-tetramethylphthalan-5-yl)amino]benzoic acid Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(OC3(C)C)(C)C

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(OC3(C)C)(C)C

InChI

InChI=1S/C23H29NO3/c1-6-7-14-24(17-10-8-16(9-11-17)21(25)26)18-12-13-19-20(15-18)23(4,5)27-22(19,2)3/h8-13,15H,6-7,14H2,1-5H3,(H,25,26)