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

Systemtic Name: tert-butyl 4-[3-[3-[2-(4-methylpentoxycarbonyl)but-3-ynylcarbamoyl]piperidin-1-yl]-3-oxidanylidene-propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[3-(2-isohexyloxycarbonylbut-3-ynylcarbamoyl)-1-piperidyl]-3-oxo-propyl]piperidine-1-carboxylate CAS Name: 4-[3-[3-[[2-[4-methylpentoxy(oxo)methyl]but-3-ynylamino]-oxomethyl]-1-piperidinyl]-3-oxopropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[3-[2-(4-methylpentoxycarbonyl)but-3-ynylcarbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate Traditional Name: 4-[3-[3-(2-isohexyloxycarbonylbut-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49N3O6/c1-7-24(28(36)38-19-9-10-22(2)3)20-31-27(35)25-11-8-16-33(21-25)26(34)13-12-23-14-17-32(18-15-23)29(37)39-30(4,5)6/h1,22-25H,8-21H2,2-6H3,(H,31,35)