(phenylmethyl) 6-iodanyl-9-(4-phenylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: (phenylmethyl) 6-iodanyl-9-(4-phenylphenyl)carbonyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: benzyl 6-iodo-9-(4-phenylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: 6-iodo-9-[oxo-(4-phenylphenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-iodo-9-(4-phenylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: 6-iodo-9-(4-phenylbenzoyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid benzyl ester Formula: C33H26INO3 MolecularWeight: 611.46891

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C(=O)OCC3=CC=CC=C3)C4=C(N2C(=O)C5=CC=C(C=C5)C6=CC=CC=C6)C=CC(=C4)I

Isomeric SMILES

C1CC2=C(CC1C(=O)OCC3=CC=CC=C3)C4=C(N2C(=O)C5=CC=C(C=C5)C6=CC=CC=C6)C=CC(=C4)I

InChI

InChI=1S/C33H26INO3/c34-27-16-18-31-29(20-27)28-19-26(33(37)38-21-22-7-3-1-4-8-22)15-17-30(28)35(31)32(36)25-13-11-24(12-14-25)23-9-5-2-6-10-23/h1-14,16,18,20,26H,15,17,19,21H2