ethyl [2-(phenylmethyl)-3,4,7,7a-tetrahydro-1H-isoindol-3a-yl] carbonate

Systemtic Name: ethyl [2-(phenylmethyl)-3,4,7,7a-tetrahydro-1H-isoindol-3a-yl] carbonate Openeye Name: (2-benzyl-3,4,7,7a-tetrahydro-1H-isoindol-3a-yl) ethyl carbonate CAS Name: carbonic acid ethyl [2-(phenylmethyl)-3,4,7,7a-tetrahydro-1H-isoindol-3a-yl] ester IUPAC Name: (2-benzyl-3,4,7,7a-tetrahydro-1H-isoindol-3a-yl) ethyl carbonate Traditional Name: carbonic acid (2-benzyl-3,4,7,7a-tetrahydro-1H-isoindol-3a-yl) ethyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC12CC=CCC1CN(C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)OC12CC=CCC1CN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23NO3/c1-2-21-17(20)22-18-11-7-6-10-16(18)13-19(14-18)12-15-8-4-3-5-9-15/h3-9,16H,2,10-14H2,1H3