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

Systemtic Name: ethyl 1-[(6-bromanyl-3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(6-bromo-3-ethoxycarbonyl-5-methoxy-benzofuran-2-yl)methyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(6-bromo-3-ethoxycarbonyl-5-methoxy-2-benzofuranyl)methyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-bromo-3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[(6-bromo-3-carbethoxy-5-methoxy-benzofuran-2-yl)methyl]-4-phenyl-isonipecotic acid ethyl ester Formula: C27H30BrNO6 MolecularWeight: 544.4342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC)Br)CN3CCC(CC3)(C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OC)Br)CN3CCC(CC3)(C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C27H30BrNO6/c1-4-33-25(30)24-19-15-22(32-3)20(28)16-21(19)35-23(24)17-29-13-11-27(12-14-29,26(31)34-5-2)18-9-7-6-8-10-18/h6-10,15-16H,4-5,11-14,17H2,1-3H3