ethyl 2-[4-[(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)amino]but-2-ynylamino]ethanoate hydrochloride

Systemtic Name: ethyl 2-[4-[(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)amino]but-2-ynylamino]ethanoate hydrochloride Openeye Name: ethyl 2-[4-[(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)amino]but-2-ynylamino]acetate hydrochloride CAS Name: 2-[4-[(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethyl)amino]but-2-ynylamino]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[4-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)amino]but-2-ynylamino]acetate hydrochloride Traditional Name: 2-[4-[(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)amino]but-2-ynylamino]acetic acid ethyl ester hydrochloride Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNCC#CCNC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl

Isomeric SMILES

CCOC(=O)CNCC#CCNC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C22H30N2O4.ClH/c1-2-28-20(25)17-23-15-9-10-16-24-21(26)22(27,18-11-5-3-6-12-18)19-13-7-4-8-14-19;/h3,5-6,11-12,19,23,27H,2,4,7-8,13-17H2,1H3,(H,24,26);1H