2-(phenylmethyl)-1,3,3a,4,5,6-hexahydroisoindole-5-carboxylic acid

Systemtic Name: 2-(phenylmethyl)-1,3,3a,4,5,6-hexahydroisoindole-5-carboxylic acid Openeye Name: 2-benzyl-1,3,3a,4,5,6-hexahydroisoindole-5-carboxylic acid CAS Name: 2-(phenylmethyl)-1,3,3a,4,5,6-hexahydroisoindole-5-carboxylic acid IUPAC Name: 2-benzyl-1,3,3a,4,5,6-hexahydroisoindole-5-carboxylic acid Traditional Name: 2-benzyl-1,3,3a,4,5,6-hexahydroisoindole-5-carboxylic acid Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2CN(CC2CC1C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1C=C2CN(CC2CC1C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C16H19NO2/c18-16(19)13-6-7-14-10-17(11-15(14)8-13)9-12-4-2-1-3-5-12/h1-5,7,13,15H,6,8-11H2,(H,18,19)