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

Systemtic Name: ethyl 6-bromanyl-1-cyclohexyl-5-oxidanyl-2-(piperidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-(1-piperidylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclohexyl-5-hydroxy-2-(1-piperidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-(piperidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclohexyl-5-hydroxy-2-(piperidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C23H31BrN2O3 MolecularWeight: 463.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3CCCCC3)CN4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3CCCCC3)CN4CCCCC4

InChI

InChI=1S/C23H31BrN2O3/c1-2-29-23(28)22-17-13-21(27)18(24)14-19(17)26(16-9-5-3-6-10-16)20(22)15-25-11-7-4-8-12-25/h13-14,16,27H,2-12,15H2,1H3