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

Systemtic Name: (phenylmethyl) (3S)-3-(4-bromanylbutylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (3S)-3-(4-bromobutylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[(4-bromobutylamino)-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-(4-bromobutylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(4-bromobutylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C22H25BrN2O3 MolecularWeight: 445.3495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NCCCCBr

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)NCCCCBr

InChI

InChI=1S/C22H25BrN2O3/c23-12-6-7-13-24-21(26)20-14-18-10-4-5-11-19(18)15-25(20)22(27)28-16-17-8-2-1-3-9-17/h1-5,8-11,20H,6-7,12-16H2,(H,24,26)/t20-/m0/s1