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

Systemtic Name: tert-butyl 4-[(E)-3-oxidanylidene-3-[3-(2-pentoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]prop-1-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-oxo-3-[3-(2-pentoxycarbonylbut-3-ynylcarbamoyl)-1-piperidyl]prop-1-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-3-oxo-3-[3-[oxo-[2-[oxo(pentoxy)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-pentoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]prop-1-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-[3-(2-amoxycarbonylbut-3-ynylcarbamoyl)piperidino]-3-keto-prop-1-enyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H45N3O6 MolecularWeight: 531.6841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45N3O6/c1-6-8-9-19-37-27(35)23(7-2)20-30-26(34)24-11-10-16-32(21-24)25(33)13-12-22-14-17-31(18-15-22)28(36)38-29(3,4)5/h2,12-13,22-24H,6,8-11,14-21H2,1,3-5H3,(H,30,34)/b13-12+