4-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]benzoic acid

Systemtic Name: 4-[2-(5-chloranyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]benzoic acid Openeye Name: 4-[2-(2-benzyloxy-5-chloro-phenyl)-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 4-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methyl-1-pyrrolyl]benzoic acid IUPAC Name: 4-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]benzoic acid Traditional Name: 4-[2-(2-benzoxy-5-chloro-phenyl)-5-methyl-pyrrol-1-yl]benzoic acid Formula: C25H20ClNO3 MolecularWeight: 417.8842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)O)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)O)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C25H20ClNO3/c1-17-7-13-23(27(17)21-11-8-19(9-12-21)25(28)29)22-15-20(26)10-14-24(22)30-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H,28,29)