diethyl 2-[3-cyano-6-(dimethylamino)-3-(3-methoxyphenyl)-2-methyl-hexan-2-yl]propanedioate hydrochloride

Systemtic Name: diethyl 2-[3-cyano-6-(dimethylamino)-3-(3-methoxyphenyl)-2-methyl-hexan-2-yl]propanedioate hydrochloride Openeye Name: diethyl 2-[2-cyano-5-(dimethylamino)-2-(3-methoxyphenyl)-1,1-dimethyl-pentyl]propanedioate hydrochloride CAS Name: 2-[3-cyano-6-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-2-yl]propanedioic acid diethyl ester hydrochloride IUPAC Name: diethyl 2-[3-cyano-6-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-2-yl]propanedioate hydrochloride Traditional Name: 2-[2-cyano-5-(dimethylamino)-2-(3-methoxyphenyl)-1,1-dimethyl-pentyl]malonic acid diethyl ester hydrochloride Formula: C24H37ClN2O5 MolecularWeight: 469.01398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)C(C)(C)C(CCCN(C)C)(C#N)C1=CC(=CC=C1)OC.Cl

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)C(C)(C)C(CCCN(C)C)(C#N)C1=CC(=CC=C1)OC.Cl

InChI

InChI=1S/C24H36N2O5.ClH/c1-8-30-21(27)20(22(28)31-9-2)23(3,4)24(17-25,14-11-15-26(5)6)18-12-10-13-19(16-18)29-7;/h10,12-13,16,20H,8-9,11,14-15H2,1-7H3;1H