(4-methylphenyl)methyl (1R)-1-[(2R)-5-oxidanylideneoxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (4-methylphenyl)methyl (1R)-1-[(2R)-5-oxidanylideneoxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: p-tolylmethyl (1R)-1-[(2R)-5-oxotetrahydrofuran-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (1R)-1-[(2R)-5-oxo-2-oxolanyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl (1R)-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (1R)-1-[(2R)-5-ketotetrahydrofuran-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (4-methylbenzyl) ester Formula: C22H23NO4 MolecularWeight: 365.42232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)N2CCC3=CC=CC=C3C2C4CCC(=O)O4

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)N2CCC3=CC=CC=C3[C@@H]2[C@H]4CCC(=O)O4

InChI

InChI=1S/C22H23NO4/c1-15-6-8-16(9-7-15)14-26-22(25)23-13-12-17-4-2-3-5-18(17)21(23)19-10-11-20(24)27-19/h2-9,19,21H,10-14H2,1H3/t19-,21-/m1/s1