[2-(dimethylamino)-2-pyridin-4-yl-butyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-(dimethylamino)-2-pyridin-4-yl-butyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(dimethylamino)-2-(4-pyridyl)butyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-pyridin-4-ylbutyl] ester IUPAC Name: [2-(dimethylamino)-2-pyridin-4-ylbutyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-(4-pyridyl)butyl] ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=NC=C2)N(C)C

Isomeric SMILES

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=NC=C2)N(C)C

InChI

InChI=1S/C21H28N2O5/c1-7-21(23(2)3,16-8-10-22-11-9-16)14-28-20(24)15-12-17(25-4)19(27-6)18(13-15)26-5/h8-13H,7,14H2,1-6H3