tert-butyl 4-[3-oxidanylidene-3-[3-(2-pentoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-oxidanylidene-3-[3-(2-pentoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-oxo-3-[3-(2-pentoxycarbonylbut-3-ynylcarbamoyl)-1-piperidyl]propyl]piperidine-1-carboxylate CAS Name: 4-[3-oxo-3-[3-[oxo-[2-[oxo(pentoxy)methyl]but-3-ynylamino]methyl]-1-piperidinyl]propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-oxo-3-[3-(2-pentoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]propyl]piperidine-1-carboxylate Traditional Name: 4-[3-[3-(2-amoxycarbonylbut-3-ynylcarbamoyl)piperidino]-3-keto-propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H47N3O6 MolecularWeight: 533.69998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)CCC2CCN(CC2)C(=O)OC(C)(C)C)C#C

Isomeric SMILES

CCCCCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)CCC2CCN(CC2)C(=O)OC(C)(C)C)C#C

InChI

InChI=1S/C29H47N3O6/c1-6-8-9-19-37-27(35)23(7-2)20-30-26(34)24-11-10-16-32(21-24)25(33)13-12-22-14-17-31(18-15-22)28(36)38-29(3,4)5/h2,22-24H,6,8-21H2,1,3-5H3,(H,30,34)