tert-butyl 3-[4-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-4-oxidanylidene-butyl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-4-oxidanylidene-butyl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)-1-piperidyl]-4-oxo-butyl]azetidine-1-carboxylate CAS Name: 3-[4-[3-[(2-ethoxycarbonylbut-3-ynylamino)-oxomethyl]-1-piperidinyl]-4-oxobutyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-4-oxobutyl]azetidine-1-carboxylate Traditional Name: 3-[4-[3-(2-carbethoxybut-3-ynylcarbamoyl)piperidino]-4-keto-butyl]azetidine-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)C1CCCN(C1)C(=O)CCCC2CN(C2)C(=O)OC(C)(C)C)C#C

Isomeric SMILES

CCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)CCCC2CN(C2)C(=O)OC(C)(C)C)C#C

InChI

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