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

Systemtic Name: 4-[2-[1-[(4-bromophenyl)methyl]-2-methyl-indol-3-yl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[1-[(4-bromophenyl)methyl]-2-methyl-indol-3-yl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[1-[(4-bromophenyl)methyl]-2-methyl-3-indolyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[1-[(4-bromophenyl)methyl]-2-methylindol-3-yl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[1-(4-bromobenzyl)-2-methyl-indol-3-yl]-1-cyano-vinyl]benzoic acid Formula: C26H19BrN2O2 MolecularWeight: 471.34526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)Br)C=C(C#N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)Br)C=C(C#N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H19BrN2O2/c1-17-24(14-21(15-28)19-8-10-20(11-9-19)26(30)31)23-4-2-3-5-25(23)29(17)16-18-6-12-22(27)13-7-18/h2-14H,16H2,1H3,(H,30,31)