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

Systemtic Name: ethyl 1-[[4,6-bis(bromanyl)-3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl]methyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-[(4,6-dibromo-3-ethoxycarbonyl-5-methoxy-benzofuran-2-yl)methyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[(4,6-dibromo-3-ethoxycarbonyl-5-methoxy-2-benzofuranyl)methyl]-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4,6-dibromo-3-ethoxycarbonyl-5-methoxy-1-benzofuran-2-yl)methyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[(4,6-dibromo-3-carbethoxy-5-methoxy-benzofuran-2-yl)methyl]-4-phenyl-isonipecotic acid ethyl ester Formula: C27H29Br2NO6 MolecularWeight: 623.33026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29Br2NO6/c1-4-34-25(31)22-20(36-19-15-18(28)24(33-3)23(29)21(19)22)16-30-13-11-27(12-14-30,26(32)35-5-2)17-9-7-6-8-10-17/h6-10,15H,4-5,11-14,16H2,1-3H3