ethyl 6-bromanyl-1-cyclohexyl-2-(diethylaminomethyl)-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclohexyl-2-(diethylaminomethyl)-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclohexyl-2-(diethylaminomethyl)-5-hydroxy-indole-3-carboxylate CAS Name: 6-bromo-1-cyclohexyl-2-(diethylaminomethyl)-5-hydroxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclohexyl-2-(diethylaminomethyl)-5-hydroxyindole-3-carboxylate Traditional Name: 6-bromo-1-cyclohexyl-2-(diethylaminomethyl)-5-hydroxy-indole-3-carboxylic acid ethyl ester Formula: C22H31BrN2O3 MolecularWeight: 451.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C2=CC(=C(C=C2N1C3CCCCC3)Br)O)C(=O)OCC

Isomeric SMILES

CCN(CC)CC1=C(C2=CC(=C(C=C2N1C3CCCCC3)Br)O)C(=O)OCC

InChI

InChI=1S/C22H31BrN2O3/c1-4-24(5-2)14-19-21(22(27)28-6-3)16-12-20(26)17(23)13-18(16)25(19)15-10-8-7-9-11-15/h12-13,15,26H,4-11,14H2,1-3H3