(phenylmethyl) 3-(2-oxidanylideneethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(2-oxidanylideneethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate Openeye Name: benzyl 3-(2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate CAS Name: 3-(2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-(2-ketoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylic acid benzyl ester Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(C(CC2C1)CC=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC2CN(C(CC2C1)CC=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H25NO3/c21-11-10-18-12-16-8-4-5-9-17(16)13-20(18)19(22)23-14-15-6-2-1-3-7-15/h1-3,6-7,11,16-18H,4-5,8-10,12-14H2