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

Systemtic Name: 7-iodanyl-4-(2-methoxyphenyl)-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Openeye Name: 2-benzyl-7-iodo-4-(2-methoxyphenyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid CAS Name: 7-iodo-4-(2-methoxyphenyl)-2-(phenylmethyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid IUPAC Name: 2-benzyl-7-iodo-4-(2-methoxyphenyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Traditional Name: 2-benzyl-7-iodo-4-(2-methoxyphenyl)-3,4,5,7a-tetrahydro-1H-isoindole-3a-carboxylic acid Formula: C23H24INO3 MolecularWeight: 489.34603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC=C(C3C2(CN(C3)CC4=CC=CC=C4)C(=O)O)I

Isomeric SMILES

COC1=CC=CC=C1C2CC=C(C3C2(CN(C3)CC4=CC=CC=C4)C(=O)O)I

InChI

InChI=1S/C23H24INO3/c1-28-21-10-6-5-9-17(21)18-11-12-20(24)19-14-25(15-23(18,19)22(26)27)13-16-7-3-2-4-8-16/h2-10,12,18-19H,11,13-15H2,1H3,(H,26,27)