ethyl 1-[(6-bromanyl-5-methoxy-2-methyl-1-benzofuran-3-yl)carbonyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(6-bromanyl-5-methoxy-2-methyl-1-benzofuran-3-yl)carbonyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-(6-bromo-5-methoxy-2-methyl-benzofuran-3-carbonyl)-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(6-bromo-5-methoxy-2-methyl-3-benzofuranyl)-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-bromo-5-methoxy-2-methyl-1-benzofuran-3-carbonyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-(6-bromo-5-methoxy-2-methyl-benzofuran-3-carbonyl)-4-phenyl-isonipecotic acid ethyl ester Formula: C25H26BrNO5 MolecularWeight: 500.38164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=C(OC3=CC(=C(C=C32)OC)Br)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=C(OC3=CC(=C(C=C32)OC)Br)C)C4=CC=CC=C4

InChI

InChI=1S/C25H26BrNO5/c1-4-31-24(29)25(17-8-6-5-7-9-17)10-12-27(13-11-25)23(28)22-16(2)32-20-15-19(26)21(30-3)14-18(20)22/h5-9,14-15H,4,10-13H2,1-3H3