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

Systemtic Name: tert-butyl 4-[(E)-4-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-4-oxidanylidene-but-2-en-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)-1-piperidyl]-1-methyl-3-oxo-prop-1-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-4-[3-[(2-ethoxycarbonylbut-3-ynylamino)-oxomethyl]-1-piperidinyl]-4-oxobut-2-en-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-4-[3-(2-ethoxycarbonylbut-3-ynylcarbamoyl)piperidin-1-yl]-4-oxobut-2-en-2-yl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-[3-(2-carbethoxybut-3-ynylcarbamoyl)piperidino]-3-keto-1-methyl-prop-1-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=C(C)C2CCN(CC2)C(=O)OC(C)(C)C)C#C

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O6/c1-7-20(25(33)35-8-2)17-28-24(32)22-10-9-13-30(18-22)23(31)16-19(3)21-11-14-29(15-12-21)26(34)36-27(4,5)6/h1,16,20-22H,8-15,17-18H2,2-6H3,(H,28,32)/b19-16+