ethyl 1-[5,7-bis(bromanyl)-1,2,3,4-tetrahydroxanthen-4a-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[5,7-bis(bromanyl)-1,2,3,4-tetrahydroxanthen-4a-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-(5,7-dibromo-1,2,3,4-tetrahydroxanthen-4a-yl)piperidine-3-carboxylate CAS Name: 1-(5,7-dibromo-1,2,3,4-tetrahydroxanthen-4a-yl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5,7-dibromo-1,2,3,4-tetrahydroxanthen-4a-yl)piperidine-3-carboxylate Traditional Name: 1-(5,7-dibromo-1,2,3,4-tetrahydroxanthen-4a-yl)nipecotic acid ethyl ester Formula: C21H25Br2NO3 MolecularWeight: 499.2361

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C23CCCCC2=CC4=CC(=CC(=C4O3)Br)Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C23CCCCC2=CC4=CC(=CC(=C4O3)Br)Br

InChI

InChI=1S/C21H25Br2NO3/c1-2-26-20(25)14-6-5-9-24(13-14)21-8-4-3-7-16(21)10-15-11-17(22)12-18(23)19(15)27-21/h10-12,14H,2-9,13H2,1H3