4-[2-[1-[(2-chlorophenyl)methyl]-2-methyl-indol-3-yl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[1-[(2-chlorophenyl)methyl]-2-methyl-indol-3-yl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[1-[(2-chlorophenyl)methyl]-2-methyl-indol-3-yl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[1-[(2-chlorophenyl)methyl]-2-methyl-3-indolyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[1-(2-chlorobenzyl)-2-methyl-indol-3-yl]-1-cyano-vinyl]benzoic acid Formula: C26H19ClN2O2 MolecularWeight: 426.89426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3Cl)C=C(C#N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3Cl)C=C(C#N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H19ClN2O2/c1-17-23(14-21(15-28)18-10-12-19(13-11-18)26(30)31)22-7-3-5-9-25(22)29(17)16-20-6-2-4-8-24(20)27/h2-14H,16H2,1H3,(H,30,31)