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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C(C1)CN(C2C(=O)O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC2(C(C1)CN(C2C(=O)O)CC3=CC=CC=C3)C(=O)O

InChI

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