ethyl 6-bromanyl-1-cyclohexyl-4-(dimethylaminomethyl)-2-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclohexyl-4-(dimethylaminomethyl)-2-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclohexyl-4-(dimethylaminomethyl)-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 6-bromo-1-cyclohexyl-4-(dimethylaminomethyl)-5-hydroxy-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclohexyl-4-(dimethylaminomethyl)-5-hydroxy-2-methylindole-3-carboxylate Traditional Name: 6-bromo-1-cyclohexyl-4-(dimethylaminomethyl)-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C21H29BrN2O3 MolecularWeight: 437.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3CCCCC3)C

InChI

InChI=1S/C21H29BrN2O3/c1-5-27-21(26)18-13(2)24(14-9-7-6-8-10-14)17-11-16(22)20(25)15(19(17)18)12-23(3)4/h11,14,25H,5-10,12H2,1-4H3