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

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-(piperidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(1-piperidylmethyl)indole-3-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(1-piperidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(piperidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(piperidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C21H30BrN3O3 MolecularWeight: 452.3852

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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)C)CN3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CN3CCCCC3

InChI

InChI=1S/C21H30BrN3O3/c1-5-28-21(27)19-17(13-25-9-7-6-8-10-25)24(4)16-11-15(22)20(26)14(18(16)19)12-23(2)3/h11,26H,5-10,12-13H2,1-4H3