4-[ethyl-(3,3,6-trimethyl-7-propan-2-yl-2H-1-benzofuran-5-yl)amino]benzoic acid

Systemtic Name: 4-[ethyl-(3,3,6-trimethyl-7-propan-2-yl-2H-1-benzofuran-5-yl)amino]benzoic acid Openeye Name: 4-[ethyl-(7-isopropyl-3,3,6-trimethyl-2H-benzofuran-5-yl)amino]benzoic acid CAS Name: 4-[ethyl-(3,3,6-trimethyl-7-propan-2-yl-2H-benzofuran-5-yl)amino]benzoic acid IUPAC Name: 4-[ethyl-(3,3,6-trimethyl-7-propan-2-yl-2H-1-benzofuran-5-yl)amino]benzoic acid Traditional Name: 4-[ethyl-(7-isopropyl-3,3,6-trimethyl-coumaran-5-yl)amino]benzoic acid Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)O)C2=C(C(=C3C(=C2)C(CO3)(C)C)C(C)C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)O)C2=C(C(=C3C(=C2)C(CO3)(C)C)C(C)C)C

InChI

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