tert-butyl 4-[(E)-3-oxidanylidene-3-[3-(2-phenethyloxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]prop-1-enyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-oxidanylidene-3-[3-(2-phenethyloxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]prop-1-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-oxo-3-[3-(2-phenethyloxycarbonylbut-3-ynylcarbamoyl)-1-piperidyl]prop-1-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-3-oxo-3-[3-[oxo-[2-[oxo(phenethyloxy)methyl]but-3-ynylamino]methyl]-1-piperidinyl]prop-1-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-oxo-3-[3-(2-phenethyloxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]prop-1-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-keto-3-[3-(2-phenethyloxycarbonylbut-3-ynylcarbamoyl)piperidino]prop-1-enyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C32H43N3O6 MolecularWeight: 565.70032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C=CC(=O)N2CCCC(C2)C(=O)NCC(C#C)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)/C=C/C(=O)N2CCCC(C2)C(=O)NCC(C#C)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C32H43N3O6/c1-5-26(30(38)40-21-17-24-10-7-6-8-11-24)22-33-29(37)27-12-9-18-35(23-27)28(36)14-13-25-15-19-34(20-16-25)31(39)41-32(2,3)4/h1,6-8,10-11,13-14,25-27H,9,12,15-23H2,2-4H3,(H,33,37)/b14-13+