tert-butyl (3S)-3-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-(benzyloxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(phenylmethoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(benzoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1COCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1COCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3/c1-22(2,3)26-21(24)23-14-19-12-8-7-11-18(19)13-20(23)16-25-15-17-9-5-4-6-10-17/h4-12,20H,13-16H2,1-3H3/t20-/m0/s1