4-[5-(7-chloranyl-5-prop-1-en-2-yl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(7-chloranyl-5-prop-1-en-2-yl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(7-chloro-5-isopropenyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-[7-chloro-5-(1-methylethenyl)-2-benzofuranyl]-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(7-chloro-5-prop-1-en-2-yl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(7-chloro-5-isopropenyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C22H16ClNO3 MolecularWeight: 377.82034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=C2C(=C1)C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CC(=C)C1=CC(=C2C(=C1)C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C22H16ClNO3/c1-12(2)15-9-16-11-20(27-21(16)17(23)10-15)19-8-7-18(24-19)13-3-5-14(6-4-13)22(25)26/h3-11,24H,1H2,2H3,(H,25,26)