2-[1-[5-(butylcarbamoylamino)-2-[(4-cyanophenyl)carbonylamino]pentanoyl]piperidin-4-yl]oxyethanoate

Systemtic Name: 2-[1-[5-(butylcarbamoylamino)-2-[(4-cyanophenyl)carbonylamino]pentanoyl]piperidin-4-yl]oxyethanoate Openeye Name: 2-[[1-[5-(butylcarbamoylamino)-2-[(4-cyanobenzoyl)amino]pentanoyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[5-[[butylamino(oxo)methyl]amino]-2-[[(4-cyanophenyl)-oxomethyl]amino]-1-oxopentyl]-4-piperidinyl]oxy]acetate IUPAC Name: 2-[1-[5-(butylcarbamoylamino)-2-[(4-cyanobenzoyl)amino]pentanoyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[5-(butylcarbamoylamino)-2-[(4-cyanobenzoyl)amino]pentanoyl]-4-piperidyl]oxy]acetate Formula: C25H34N5O6- MolecularWeight: 500.56736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NCCCC(C(=O)N1CCC(CC1)OCC(=O)[O-])NC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCNC(=O)NCCCC(C(=O)N1CCC(CC1)OCC(=O)[O-])NC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C25H35N5O6/c1-2-3-12-27-25(35)28-13-4-5-21(29-23(33)19-8-6-18(16-26)7-9-19)24(34)30-14-10-20(11-15-30)36-17-22(31)32/h6-9,20-21H,2-5,10-15,17H2,1H3,(H,29,33)(H,31,32)(H2,27,28,35)/p-1