(phenylmethyl) (6R,8aS)-5,5,8a-trimethyl-6-oxidanyl-3,6,7,8-tetrahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (6R,8aS)-5,5,8a-trimethyl-6-oxidanyl-3,6,7,8-tetrahydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (6R,8aS)-6-hydroxy-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinoline-2-carboxylate CAS Name: (6R,8aS)-6-hydroxy-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (6R,8aS)-6-hydroxy-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinoline-2-carboxylate Traditional Name: (6R,8aS)-6-hydroxy-5,5,8a-trimethyl-3,6,7,8-tetrahydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC2(C1=CCN(C2)C(=O)OCC3=CC=CC=C3)C)O)C

Isomeric SMILES

C[C@]12CC[C@H](C(C1=CCN(C2)C(=O)OCC3=CC=CC=C3)(C)C)O

InChI

InChI=1S/C20H27NO3/c1-19(2)16-10-12-21(14-20(16,3)11-9-17(19)22)18(23)24-13-15-7-5-4-6-8-15/h4-8,10,17,22H,9,11-14H2,1-3H3/t17-,20-/m1/s1