ethyl 1-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(3-bromo-5-ethoxy-4-methoxy-benzoyl)piperidine-3-carboxylate CAS Name: 1-[(3-bromo-5-ethoxy-4-methoxyphenyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromo-5-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylate Traditional Name: 1-(3-bromo-5-ethoxy-4-methoxy-benzoyl)nipecotic acid ethyl ester Formula: C18H24BrNO5 MolecularWeight: 414.29086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)N2CCCC(C2)C(=O)OCC)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)N2CCCC(C2)C(=O)OCC)Br)OC

InChI

InChI=1S/C18H24BrNO5/c1-4-24-15-10-13(9-14(19)16(15)23-3)17(21)20-8-6-7-12(11-20)18(22)25-5-2/h9-10,12H,4-8,11H2,1-3H3