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

Systemtic Name: tert-butyl 4-[(E)-3-[3-(2-butoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-[3-(2-butoxycarbonylbut-3-ynylcarbamoyl)-1-piperidyl]-3-oxo-prop-1-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-3-[3-[[2-[butoxy(oxo)methyl]but-3-ynylamino]-oxomethyl]-1-piperidinyl]-3-oxoprop-1-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-[3-(2-butoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-3-oxoprop-1-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-[3-(2-butoxycarbonylbut-3-ynylcarbamoyl)piperidino]-3-keto-prop-1-enyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H43N3O6 MolecularWeight: 517.65752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)C=CC2CCN(CC2)C(=O)OC(C)(C)C)C#C

Isomeric SMILES

CCCCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)/C=C/C2CCN(CC2)C(=O)OC(C)(C)C)C#C

InChI

InChI=1S/C28H43N3O6/c1-6-8-18-36-26(34)22(7-2)19-29-25(33)23-10-9-15-31(20-23)24(32)12-11-21-13-16-30(17-14-21)27(35)37-28(3,4)5/h2,11-12,21-23H,6,8-10,13-20H2,1,3-5H3,(H,29,33)/b12-11+