tert-butyl (3R)-3-(2-morpholin-4-ylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3R)-3-(2-morpholin-4-ylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3R)-3-(2-morpholinoethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3R)-3-[[2-(4-morpholinyl)ethylamino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-(2-morpholin-4-ylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3R)-3-(2-morpholinoethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCN3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)NCCN3CCOCC3

InChI

InChI=1S/C21H31N3O4/c1-21(2,3)28-20(26)24-15-17-7-5-4-6-16(17)14-18(24)19(25)22-8-9-23-10-12-27-13-11-23/h4-7,18H,8-15H2,1-3H3,(H,22,25)/t18-/m1/s1