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

Systemtic Name: tert-butyl 4-[(E)-3-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-3-oxidanylidene-prop-1-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)-1-piperidyl]-3-oxo-prop-1-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-3-[3-[(2-ethoxycarbonylbut-3-ynylamino)-oxomethyl]-1-piperidinyl]-3-oxoprop-1-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-3-oxoprop-1-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-[3-(2-carbethoxybut-3-ynylcarbamoyl)piperidino]-3-keto-prop-1-enyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H39N3O6 MolecularWeight: 489.60436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O6/c1-6-20(24(32)34-7-2)17-27-23(31)21-9-8-14-29(18-21)22(30)11-10-19-12-15-28(16-13-19)25(33)35-26(3,4)5/h1,10-11,19-21H,7-9,12-18H2,2-5H3,(H,27,31)/b11-10+