ethyl 4-[[4-[[5-(2-phenylethynyl)furan-2-yl]carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[[5-(2-phenylethynyl)furan-2-yl]carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[oxo-[4-[[oxo-[5-(2-phenylethynyl)-2-furanyl]methyl]amino]-4-piperidinyl]methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[[5-(2-phenylethynyl)furan-2-carbonyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[[5-(2-phenylethynyl)-2-furoyl]amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=CC=C(O3)C#CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=CC=C(O3)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O5/c1-2-35-26(34)31-18-12-21(13-19-31)29-25(33)27(14-16-28-17-15-27)30-24(32)23-11-10-22(36-23)9-8-20-6-4-3-5-7-20/h3-7,10-11,21,28H,2,12-19H2,1H3,(H,29,33)(H,30,32)