[2-(butoxycarbonylamino)-1-cyano-6-(phenylmethoxycarbonylamino)hex-4-ynyl] ethanoate

Systemtic Name: [2-(butoxycarbonylamino)-1-cyano-6-(phenylmethoxycarbonylamino)hex-4-ynyl] ethanoate Openeye Name: [6-(benzyloxycarbonylamino)-2-(butoxycarbonylamino)-1-cyano-hex-4-ynyl] acetate CAS Name: acetic acid [2-[[butoxy(oxo)methyl]amino]-1-cyano-6-(phenylmethoxycarbonylamino)hex-4-ynyl] ester IUPAC Name: [2-(butoxycarbonylamino)-1-cyano-6-(phenylmethoxycarbonylamino)hex-4-ynyl] acetate Traditional Name: acetic acid [6-(benzyloxycarbonylamino)-2-(butoxycarbonylamino)-1-cyano-hex-4-ynyl] ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CC#CCNC(=O)OCC1=CC=CC=C1)C(C#N)OC(=O)C

Isomeric SMILES

CCCCOC(=O)NC(CC#CCNC(=O)OCC1=CC=CC=C1)C(C#N)OC(=O)C

InChI

InChI=1S/C22H27N3O6/c1-3-4-14-29-22(28)25-19(20(15-23)31-17(2)26)12-8-9-13-24-21(27)30-16-18-10-6-5-7-11-18/h5-7,10-11,19-20H,3-4,12-14,16H2,1-2H3,(H,24,27)(H,25,28)