diethyl 2-[[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl-cyclohexyl-amino]methyl]propanedioate

Systemtic Name: diethyl 2-[[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl-cyclohexyl-amino]methyl]propanedioate Openeye Name: diethyl 2-[[cyclohexyl-[(3,5-dichloro-2-hydroxy-phenyl)methyl]amino]methyl]propanedioate CAS Name: 2-[[cyclohexyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]amino]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[cyclohexyl-[(3,5-dichloro-2-hydroxyphenyl)methyl]amino]methyl]propanedioate Traditional Name: 2-[[cyclohexyl-(3,5-dichloro-2-hydroxy-benzyl)amino]methyl]malonic acid diethyl ester Formula: C21H29Cl2NO5 MolecularWeight: 446.36466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CN(CC1=CC(=CC(=C1O)Cl)Cl)C2CCCCC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CN(CC1=CC(=CC(=C1O)Cl)Cl)C2CCCCC2)C(=O)OCC

InChI

InChI=1S/C21H29Cl2NO5/c1-3-28-20(26)17(21(27)29-4-2)13-24(16-8-6-5-7-9-16)12-14-10-15(22)11-18(23)19(14)25/h10-11,16-17,25H,3-9,12-13H2,1-2H3