ethyl 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-5-fluoranyl-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-5-fluoranyl-1H-indole-2-carboxylate Openeye Name: ethyl 3-[[4-(2,6-dimethylphenyl)-1-piperidyl]methyl]-5-fluoro-1H-indole-2-carboxylate CAS Name: 3-[[4-(2,6-dimethylphenyl)-1-piperidinyl]methyl]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-5-fluoro-1H-indole-2-carboxylate Traditional Name: 3-[[4-(2,6-dimethylphenyl)piperidino]methyl]-5-fluoro-1H-indole-2-carboxylic acid ethyl ester Formula: C25H29FN2O2 MolecularWeight: 408.508363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)CN3CCC(CC3)C4=C(C=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)CN3CCC(CC3)C4=C(C=CC=C4C)C

InChI

InChI=1S/C25H29FN2O2/c1-4-30-25(29)24-21(20-14-19(26)8-9-22(20)27-24)15-28-12-10-18(11-13-28)23-16(2)6-5-7-17(23)3/h5-9,14,18,27H,4,10-13,15H2,1-3H3