[(1R)-1-isoquinolin-1-yl-2-methyl-propyl] benzoate

Systemtic Name: [(1R)-1-isoquinolin-1-yl-2-methyl-propyl] benzoate Openeye Name: [(1R)-1-(1-isoquinolyl)-2-methyl-propyl] benzoate CAS Name: benzoic acid [(1R)-1-(1-isoquinolinyl)-2-methylpropyl] ester IUPAC Name: [(1R)-1-isoquinolin-1-yl-2-methylpropyl] benzoate Traditional Name: benzoic acid [(1R)-1-(1-isoquinolyl)-2-methyl-propyl] ester Formula: C20H19NO2 MolecularWeight: 305.37036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@H](C1=NC=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO2/c1-14(2)19(23-20(22)16-9-4-3-5-10-16)18-17-11-7-6-8-15(17)12-13-21-18/h3-14,19H,1-2H3/t19-/m1/s1