ethyl 2-[(6-bromanylphenanthren-9-yl)-oxidanyl-methyl]piperidine-1-carboxylate

Systemtic Name: ethyl 2-[(6-bromanylphenanthren-9-yl)-oxidanyl-methyl]piperidine-1-carboxylate Openeye Name: ethyl 2-[(6-bromo-9-phenanthryl)-hydroxy-methyl]piperidine-1-carboxylate CAS Name: 2-[(6-bromo-9-phenanthrenyl)-hydroxymethyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-bromophenanthren-9-yl)-hydroxymethyl]piperidine-1-carboxylate Traditional Name: 2-[(6-bromo-9-phenanthryl)-hydroxy-methyl]piperidine-1-carboxylic acid ethyl ester Formula: C23H24BrNO3 MolecularWeight: 442.34556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCCC1C(C2=CC3=CC=CC=C3C4=C2C=CC(=C4)Br)O

Isomeric SMILES

CCOC(=O)N1CCCCC1C(C2=CC3=CC=CC=C3C4=C2C=CC(=C4)Br)O

InChI

InChI=1S/C23H24BrNO3/c1-2-28-23(27)25-12-6-5-9-21(25)22(26)20-13-15-7-3-4-8-17(15)19-14-16(24)10-11-18(19)20/h3-4,7-8,10-11,13-14,21-22,26H,2,5-6,9,12H2,1H3