2-(phenylmethyl)-1,3,4,5,6,7-hexahydroisoindole-3a,7a-dicarboxylic acid

Systemtic Name: 2-(phenylmethyl)-1,3,4,5,6,7-hexahydroisoindole-3a,7a-dicarboxylic acid Openeye Name: 2-benzyl-1,3,4,5,6,7-hexahydroisoindole-3a,7a-dicarboxylic acid CAS Name: 2-(phenylmethyl)-1,3,4,5,6,7-hexahydroisoindole-3a,7a-dicarboxylic acid IUPAC Name: 2-benzyl-1,3,4,5,6,7-hexahydroisoindole-3a,7a-dicarboxylic acid Traditional Name: 2-benzyl-1,3,4,5,6,7-hexahydroisoindole-3a,7a-dicarboxylic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CN(CC2(C1)C(=O)O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC2(CN(CC2(C1)C(=O)O)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H21NO4/c19-14(20)16-8-4-5-9-17(16,15(21)22)12-18(11-16)10-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,19,20)(H,21,22)