2-[[4-(2-cyanophenyl)phenyl]methyl]-1-pentyl-indole-3-carboxylic acid

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-pentyl-indole-3-carboxylic acid Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-pentyl-indole-3-carboxylic acid CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-pentyl-3-indolecarboxylic acid IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-1-pentylindole-3-carboxylic acid Traditional Name: 1-amyl-2-[4-(2-cyanophenyl)benzyl]indole-3-carboxylic acid Formula: C28H26N2O2 MolecularWeight: 422.51824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C28H26N2O2/c1-2-3-8-17-30-25-12-7-6-11-24(25)27(28(31)32)26(30)18-20-13-15-21(16-14-20)23-10-5-4-9-22(23)19-29/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,31,32)