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

Systemtic Name: ethyl 6-bromanyl-1-butyl-2-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-butyl-5-hydroxy-2-methyl-4-(1-piperidylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-butyl-5-hydroxy-2-methyl-4-(1-piperidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-butyl-5-hydroxy-2-methyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-butyl-5-hydroxy-2-methyl-4-(piperidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C22H31BrN2O3 MolecularWeight: 451.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C(C(=C(C=C21)Br)O)CN3CCCCC3)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C(C(=C(C=C21)Br)O)CN3CCCCC3)C(=O)OCC)C

InChI

InChI=1S/C22H31BrN2O3/c1-4-6-12-25-15(3)19(22(27)28-5-2)20-16(14-24-10-8-7-9-11-24)21(26)17(23)13-18(20)25/h13,26H,4-12,14H2,1-3H3