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

Systemtic Name: tert-butyl (3R)-3-(1-oxidanylcyclopentyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3R)-3-(1-hydroxycyclopentyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3R)-3-(1-hydroxycyclopentyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-(1-hydroxycyclopentyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3R)-3-(1-hydroxycyclopentyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C3(CCCC3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@@H]1C3(CCCC3)O

InChI

InChI=1S/C19H27NO3/c1-18(2,3)23-17(21)20-13-15-9-5-4-8-14(15)12-16(20)19(22)10-6-7-11-19/h4-5,8-9,16,22H,6-7,10-13H2,1-3H3/t16-/m1/s1