(phenylmethyl) (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylate CAS Name: (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylate Traditional Name: (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2C1CC=CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@H]2[C@@H]1CC=CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H21NO2/c19-17(20-13-14-6-2-1-3-7-14)18-11-10-15-8-4-5-9-16(15)12-18/h1-7,15-16H,8-13H2/t15-,16+/m1/s1