2-methylpropyl 4-[3-(dimethylamino)-1-pyridin-2-yl-propyl]benzoate

Systemtic Name: 2-methylpropyl 4-[3-(dimethylamino)-1-pyridin-2-yl-propyl]benzoate Openeye Name: isobutyl 4-[3-(dimethylamino)-1-(2-pyridyl)propyl]benzoate CAS Name: 4-[3-(dimethylamino)-1-(2-pyridinyl)propyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[3-(dimethylamino)-1-pyridin-2-ylpropyl]benzoate Traditional Name: 4-[3-(dimethylamino)-1-(2-pyridyl)propyl]benzoic acid isobutyl ester Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)C(CCN(C)C)C2=CC=CC=N2

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)C(CCN(C)C)C2=CC=CC=N2

InChI

InChI=1S/C21H28N2O2/c1-16(2)15-25-21(24)18-10-8-17(9-11-18)19(12-14-23(3)4)20-7-5-6-13-22-20/h5-11,13,16,19H,12,14-15H2,1-4H3