methyl 1-[2-(4-bromanylphenoxy)pyridin-3-yl]carbonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-bromanylphenoxy)pyridin-3-yl]carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-bromophenoxy)pyridine-3-carbonyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[2-(4-bromophenoxy)-3-pyridinyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-bromophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[2-(4-bromophenoxy)nicotinoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C25H23BrN2O4 MolecularWeight: 495.36512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C25H23BrN2O4/c1-31-24(30)25(18-6-3-2-4-7-18)13-16-28(17-14-25)23(29)21-8-5-15-27-22(21)32-20-11-9-19(26)10-12-20/h2-12,15H,13-14,16-17H2,1H3