4-[5-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(7-isopropyl-4-methyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(4-methyl-7-propan-2-yl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-methyl-7-propan-2-yl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(7-isopropyl-4-methyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C23H21NO3 MolecularWeight: 359.41774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(OC2=C(C=C1)C(C)C)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C2C=C(OC2=C(C=C1)C(C)C)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H21NO3/c1-13(2)17-9-4-14(3)18-12-21(27-22(17)18)20-11-10-19(24-20)15-5-7-16(8-6-15)23(25)26/h4-13,24H,1-3H3,(H,25,26)