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

Systemtic Name: 2-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid Openeye Name: 2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid CAS Name: 2-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid IUPAC Name: 2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid Traditional Name: 2-benzyl-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid Formula: C16H21NO2 MolecularWeight: 259.34344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CN(CC2C1)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC2(CN(CC2C1)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H21NO2/c18-15(19)16-9-5-4-8-14(16)11-17(12-16)10-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,18,19)