2-cyclohexyl-N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]but-2-ynyl]-2-oxidanyl-2-phenyl-ethanamide hydrochloride

Systemtic Name: 2-cyclohexyl-N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]but-2-ynyl]-2-oxidanyl-2-phenyl-ethanamide hydrochloride Openeye Name: 2-cyclohexyl-N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]but-2-ynyl]-2-hydroxy-2-phenyl-acetamide hydrochloride CAS Name: 2-cyclohexyl-N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]but-2-ynyl]-2-hydroxy-2-phenylacetamide hydrochloride IUPAC Name: 2-cyclohexyl-N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]but-2-ynyl]-2-hydroxy-2-phenylacetamide hydrochloride Traditional Name: 2-cyclohexyl-N-[4-(homoveratrylamino)but-2-ynyl]-2-hydroxy-2-phenyl-acetamide hydrochloride Formula: C28H37ClN2O4 MolecularWeight: 501.05738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC#CCNC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC#CCNC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)OC.Cl

InChI

InChI=1S/C28H36N2O4.ClH/c1-33-25-16-15-22(21-26(25)34-2)17-20-29-18-9-10-19-30-27(31)28(32,23-11-5-3-6-12-23)24-13-7-4-8-14-24;/h3,5-6,11-12,15-16,21,24,29,32H,4,7-8,13-14,17-20H2,1-2H3,(H,30,31);1H