[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-(hydroxymethyl)benzoate

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-(hydroxymethyl)benzoate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=C(C=C3)CO

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=C(C=C3)CO

InChI

InChI=1S/C20H21NO4/c1-14(25-20(24)17-8-6-15(13-22)7-9-17)19(23)21-11-10-16-4-2-3-5-18(16)12-21/h2-9,14,22H,10-13H2,1H3/t14-/m1/s1