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

Systemtic Name: 4-[5-(7-chloranyl-5-ethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(7-chloro-5-ethyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(7-chloro-5-ethyl-2-benzofuranyl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(7-chloro-5-ethyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(7-chloro-5-ethyl-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H16ClNO3 MolecularWeight: 365.80964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1)C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CCC1=CC(=C2C(=C1)C=C(O2)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C21H16ClNO3/c1-2-12-9-15-11-19(26-20(15)16(22)10-12)18-8-7-17(23-18)13-3-5-14(6-4-13)21(24)25/h3-11,23H,2H2,1H3,(H,24,25)