methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-6-fluoranyl-indole-3-carboxylate

Systemtic Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-6-fluoranyl-indole-3-carboxylate Openeye Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-6-fluoro-indole-3-carboxylate CAS Name: 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-6-fluoro-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-6-fluoroindole-3-carboxylate Traditional Name: 2-butyl-1-[4-(2-cyanophenyl)benzyl]-6-fluoro-indole-3-carboxylic acid methyl ester Formula: C28H25FN2O2 MolecularWeight: 440.508703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=C(C=C2)F)C(=O)OC

Isomeric SMILES

CCCCC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C28H25FN2O2/c1-3-4-9-25-27(28(32)33-2)24-15-14-22(29)16-26(24)31(25)18-19-10-12-20(13-11-19)23-8-6-5-7-21(23)17-30/h5-8,10-16H,3-4,9,18H2,1-2H3