[1-cyclohexyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl] 2-oxidanyl-2-phenyl-ethanoate hydrochloride

Systemtic Name: [1-cyclohexyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl] 2-oxidanyl-2-phenyl-ethanoate hydrochloride Openeye Name: [1-cyclohexyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl] 2-hydroxy-2-phenyl-acetate hydrochloride CAS Name: 2-hydroxy-2-phenylacetic acid [1-cyclohexyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl] ester hydrochloride IUPAC Name: [1-cyclohexyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl] 2-hydroxy-2-phenylacetate hydrochloride Traditional Name: 2-hydroxy-2-phenyl-acetic acid [1-cyclohexyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethyl] ester hydrochloride Formula: C20H30ClN3O3 MolecularWeight: 395.9235

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CNC2=NCCCN2)OC(=O)C(C3=CC=CC=C3)O.Cl

Isomeric SMILES

C1CCC(CC1)C(CNC2=NCCCN2)OC(=O)C(C3=CC=CC=C3)O.Cl

InChI

InChI=1S/C20H29N3O3.ClH/c24-18(16-10-5-2-6-11-16)19(25)26-17(15-8-3-1-4-9-15)14-23-20-21-12-7-13-22-20;/h2,5-6,10-11,15,17-18,24H,1,3-4,7-9,12-14H2,(H2,21,22,23);1H