1-butyl-5-chloranyl-2-[[4-(2-cyanophenyl)phenyl]methyl]indole-3-carboxylic acid

Systemtic Name: 1-butyl-5-chloranyl-2-[[4-(2-cyanophenyl)phenyl]methyl]indole-3-carboxylic acid Openeye Name: 1-butyl-5-chloro-2-[[4-(2-cyanophenyl)phenyl]methyl]indole-3-carboxylic acid CAS Name: 1-butyl-5-chloro-2-[[4-(2-cyanophenyl)phenyl]methyl]-3-indolecarboxylic acid IUPAC Name: 1-butyl-5-chloro-2-[[4-(2-cyanophenyl)phenyl]methyl]indole-3-carboxylic acid Traditional Name: 1-butyl-5-chloro-2-[4-(2-cyanophenyl)benzyl]indole-3-carboxylic acid Formula: C27H23ClN2O2 MolecularWeight: 442.93672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)Cl)C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)Cl)C(=C1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)O

InChI

InChI=1S/C27H23ClN2O2/c1-2-3-14-30-24-13-12-21(28)16-23(24)26(27(31)32)25(30)15-18-8-10-19(11-9-18)22-7-5-4-6-20(22)17-29/h4-13,16H,2-3,14-15H2,1H3,(H,31,32)