(phenylmethyl) (3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(methylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C19H20N2O3 MolecularWeight: 324.3737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CNC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3/c1-20-18(22)17-11-15-9-5-6-10-16(15)12-21(17)19(23)24-13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,20,22)/t17-/m0/s1