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

Systemtic Name: tert-butyl 4-[3-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)pyrrolidin-1-yl]-3-oxo-propyl]piperidine-1-carboxylate CAS Name: 4-[3-[3-[(2-ethoxycarbonylbut-3-ynylamino)-oxomethyl]-1-pyrrolidinyl]-3-oxopropyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)pyrrolidin-1-yl]-3-oxopropyl]piperidine-1-carboxylate Traditional Name: 4-[3-[3-(2-carbethoxybut-3-ynylcarbamoyl)pyrrolidino]-3-keto-propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H39N3O6 MolecularWeight: 477.59366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)C1CCN(C1)C(=O)CCC2CCN(CC2)C(=O)OC(C)(C)C)C#C

Isomeric SMILES

CCOC(=O)C(CNC(=O)C1CCN(C1)C(=O)CCC2CCN(CC2)C(=O)OC(C)(C)C)C#C

InChI

InChI=1S/C25H39N3O6/c1-6-19(23(31)33-7-2)16-26-22(30)20-12-15-28(17-20)21(29)9-8-18-10-13-27(14-11-18)24(32)34-25(3,4)5/h1,18-20H,7-17H2,2-5H3,(H,26,30)