7-iodanyl-2-(phenylmethyl)-4-thiophen-3-yl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid

Systemtic Name: 7-iodanyl-2-(phenylmethyl)-4-thiophen-3-yl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Openeye Name: 2-benzyl-7-iodo-4-(3-thienyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid CAS Name: 7-iodo-2-(phenylmethyl)-4-(3-thiophenyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid IUPAC Name: 2-benzyl-7-iodo-4-thiophen-3-yl-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Traditional Name: 2-benzyl-7-iodo-4-(3-thienyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Formula: C20H20INO2S MolecularWeight: 465.34777

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C2CN(CC2(C1C3=CSC=C3)C(=O)O)CC4=CC=CC=C4)I

Isomeric SMILES

C1C=C(C2CN(CC2(C1C3=CSC=C3)C(=O)O)CC4=CC=CC=C4)I

InChI

InChI=1S/C20H20INO2S/c21-18-7-6-16(15-8-9-25-12-15)20(19(23)24)13-22(11-17(18)20)10-14-4-2-1-3-5-14/h1-5,7-9,12,16-17H,6,10-11,13H2,(H,23,24)