1-butyl-7-chloranyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-indole-3-carboxylic acid

Systemtic Name: 1-butyl-7-chloranyl-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-indole-3-carboxylic acid Openeye Name: 1-butyl-7-chloro-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-indole-3-carboxylic acid CAS Name: 1-butyl-7-chloro-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methyl-3-indolecarboxylic acid IUPAC Name: 1-butyl-7-chloro-2-[[4-(2-cyanophenyl)phenyl]methyl]-5-methylindole-3-carboxylic acid Traditional Name: 1-butyl-7-chloro-2-[4-(2-cyanophenyl)benzyl]-5-methyl-indole-3-carboxylic acid Formula: C28H25ClN2O2 MolecularWeight: 456.9633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC(=CC(=C21)Cl)C)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCN1C(=C(C2=CC(=CC(=C21)Cl)C)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C28H25ClN2O2/c1-3-4-13-31-25(26(28(32)33)23-14-18(2)15-24(29)27(23)31)16-19-9-11-20(12-10-19)22-8-6-5-7-21(22)17-30/h5-12,14-15H,3-4,13,16H2,1-2H3,(H,32,33)