(phenylmethyl) 9-(3-iodanylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: (phenylmethyl) 9-(3-iodanylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 9-(3-iodobenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 9-[(3-iodophenyl)-oxomethyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 9-(3-iodobenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 9-(3-iodobenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C27H22INO3 MolecularWeight: 535.37295

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4N2C(=O)C5=CC(=CC=C5)I

Isomeric SMILES

C1CC2=C(CC1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4N2C(=O)C5=CC(=CC=C5)I

InChI

InChI=1S/C27H22INO3/c28-21-10-6-9-19(15-21)26(30)29-24-12-5-4-11-22(24)23-16-20(13-14-25(23)29)27(31)32-17-18-7-2-1-3-8-18/h1-12,15,20H,13-14,16-17H2