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

Systemtic Name: tert-butyl 4-[3-[3-(2-hexoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-3-oxidanylidene-propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[3-(2-hexoxycarbonylbut-3-ynylcarbamoyl)-1-piperidyl]-3-oxo-propyl]piperidine-1-carboxylate CAS Name: 4-[3-[3-[[2-[hexoxy(oxo)methyl]but-3-ynylamino]-oxomethyl]-1-piperidinyl]-3-oxopropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[3-(2-hexoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate Traditional Name: 4-[3-[3-(2-hexoxycarbonylbut-3-ynylcarbamoyl)piperidino]-3-keto-propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H49N3O6 MolecularWeight: 547.72656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49N3O6/c1-6-8-9-10-20-38-28(36)24(7-2)21-31-27(35)25-12-11-17-33(22-25)26(34)14-13-23-15-18-32(19-16-23)29(37)39-30(3,4)5/h2,23-25H,6,8-22H2,1,3-5H3,(H,31,35)