methyl 2-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylate

Systemtic Name: methyl 2-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylate Openeye Name: methyl 2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylate CAS Name: 2-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid methyl ester IUPAC Name: methyl 2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylate Traditional Name: 2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid methyl ester Formula: C17H23NO2 MolecularWeight: 273.37002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCCCC1CN(C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C12CCCCC1CN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H23NO2/c1-20-16(19)17-10-6-5-9-15(17)12-18(13-17)11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3