2-diethylaminoethyl 2-(3,4-dimethoxyphenyl)-2-oxidanyl-2-pyridin-3-yl-ethanoate dihydrochloride

Systemtic Name: 2-diethylaminoethyl 2-(3,4-dimethoxyphenyl)-2-oxidanyl-2-pyridin-3-yl-ethanoate dihydrochloride Openeye Name: 2-diethylaminoethyl 2-(3,4-dimethoxyphenyl)-2-hydroxy-2-(3-pyridyl)acetate dihydrochloride CAS Name: 2-(3,4-dimethoxyphenyl)-2-hydroxy-2-(3-pyridinyl)acetic acid 2-diethylaminoethyl ester dihydrochloride IUPAC Name: 2-diethylaminoethyl 2-(3,4-dimethoxyphenyl)-2-hydroxy-2-pyridin-3-ylacetate dihydrochloride Traditional Name: 2-(3,4-dimethoxyphenyl)-2-hydroxy-2-(3-pyridyl)acetic acid 2-diethylaminoethyl ester dihydrochloride Formula: C21H30Cl2N2O5 MolecularWeight: 461.3793

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C1=CC(=C(C=C1)OC)OC)(C2=CN=CC=C2)O.Cl.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C(C1=CC(=C(C=C1)OC)OC)(C2=CN=CC=C2)O.Cl.Cl

InChI

InChI=1S/C21H28N2O5.2ClH/c1-5-23(6-2)12-13-28-20(24)21(25,17-8-7-11-22-15-17)16-9-10-18(26-3)19(14-16)27-4;;/h7-11,14-15,25H,5-6,12-13H2,1-4H3;2*1H