methyl 6-[4-[4-(8-bromanyloctoxy)phenyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[4-[4-(8-bromanyloctoxy)phenyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-[4-(8-bromooctoxy)phenyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[4-(8-bromooctoxy)phenyl]-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-[4-(8-bromooctoxy)phenyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[4-(8-bromooctoxy)phenyl]piperazino]nicotinic acid methyl ester Formula: C25H34BrN3O3 MolecularWeight: 504.45976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)OCCCCCCCCBr

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)OCCCCCCCCBr

InChI

InChI=1S/C25H34BrN3O3/c1-31-25(30)21-8-13-24(27-20-21)29-17-15-28(16-18-29)22-9-11-23(12-10-22)32-19-7-5-3-2-4-6-14-26/h8-13,20H,2-7,14-19H2,1H3