methyl 1-(4-bromanyl-3,5-dimethoxy-phenyl)carbonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-(4-bromanyl-3,5-dimethoxy-phenyl)carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-(4-bromo-3,5-dimethoxy-benzoyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(4-bromo-3,5-dimethoxyphenyl)-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromo-3,5-dimethoxybenzoyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(4-bromo-3,5-dimethoxy-benzoyl)-4-phenyl-isonipecotic acid methyl ester Formula: C22H24BrNO5 MolecularWeight: 462.33366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H24BrNO5/c1-27-17-13-15(14-18(28-2)19(17)23)20(25)24-11-9-22(10-12-24,21(26)29-3)16-7-5-4-6-8-16/h4-8,13-14H,9-12H2,1-3H3