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

Systemtic Name: tert-butyl 3-[(E)-4-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-4-oxidanylidene-but-2-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(E)-4-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)-1-piperidyl]-4-oxo-but-2-enyl]piperidine-1-carboxylate CAS Name: 3-[(E)-4-[3-[(2-ethoxycarbonylbut-3-ynylamino)-oxomethyl]-1-piperidinyl]-4-oxobut-2-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(E)-4-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enyl]piperidine-1-carboxylate Traditional Name: 3-[(E)-4-[3-(2-carbethoxybut-3-ynylcarbamoyl)piperidino]-4-keto-but-2-enyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H41N3O6 MolecularWeight: 503.63094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)C=CCC2CCCN(C2)C(=O)OC(C)(C)C)C#C

Isomeric SMILES

CCOC(=O)C(CNC(=O)C1CCCN(C1)C(=O)/C=C/CC2CCCN(C2)C(=O)OC(C)(C)C)C#C

InChI

InChI=1S/C27H41N3O6/c1-6-21(25(33)35-7-2)17-28-24(32)22-13-10-15-29(19-22)23(31)14-8-11-20-12-9-16-30(18-20)26(34)36-27(3,4)5/h1,8,14,20-22H,7,9-13,15-19H2,2-5H3,(H,28,32)/b14-8+