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

Systemtic Name: 4-[1-cyano-2-[1-[(2-cyanophenyl)methyl]-2-methyl-indol-3-yl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[1-[(2-cyanophenyl)methyl]-2-methyl-indol-3-yl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[1-[(2-cyanophenyl)methyl]-2-methyl-3-indolyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[1-[(2-cyanophenyl)methyl]-2-methylindol-3-yl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[1-(2-cyanobenzyl)-2-methyl-indol-3-yl]vinyl]benzoic acid Formula: C27H19N3O2 MolecularWeight: 417.45866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3C#N)C=C(C#N)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3C#N)C=C(C#N)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H19N3O2/c1-18-25(14-23(16-29)19-10-12-20(13-11-19)27(31)32)24-8-4-5-9-26(24)30(18)17-22-7-3-2-6-21(22)15-28/h2-14H,17H2,1H3,(H,31,32)