1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-7-fluoranyl-indole-3-carboxylic acid

Systemtic Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-7-fluoranyl-indole-3-carboxylic acid Openeye Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-7-fluoro-indole-3-carboxylic acid CAS Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-7-fluoro-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-7-fluoroindole-3-carboxylic acid Traditional Name: 1-butyl-2-[4-(2-cyanophenyl)benzyl]-7-fluoro-indole-3-carboxylic acid Formula: C27H23FN2O2 MolecularWeight: 426.482123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C(=CC=C2)F)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCN1C(=C(C2=C1C(=CC=C2)F)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H23FN2O2/c1-2-3-15-30-24(25(27(31)32)22-9-6-10-23(28)26(22)30)16-18-11-13-19(14-12-18)21-8-5-4-7-20(21)17-29/h4-14H,2-3,15-16H2,1H3,(H,31,32)