[3-(dimethylamino)-1-isoquinolin-1-yl-2,2-dimethyl-propyl] benzoate

Systemtic Name: [3-(dimethylamino)-1-isoquinolin-1-yl-2,2-dimethyl-propyl] benzoate Openeye Name: [3-(dimethylamino)-1-(1-isoquinolyl)-2,2-dimethyl-propyl] benzoate CAS Name: benzoic acid [3-(dimethylamino)-1-(1-isoquinolinyl)-2,2-dimethylpropyl] ester IUPAC Name: [3-(dimethylamino)-1-isoquinolin-1-yl-2,2-dimethylpropyl] benzoate Traditional Name: benzoic acid [3-(dimethylamino)-1-(1-isoquinolyl)-2,2-dimethyl-propyl] ester Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN(C)C)C(C1=NC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CN(C)C)C(C1=NC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O2/c1-23(2,16-25(3)4)21(27-22(26)18-11-6-5-7-12-18)20-19-13-9-8-10-17(19)14-15-24-20/h5-15,21H,16H2,1-4H3