methyl 4-(2-iodanylphenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: methyl 4-(2-iodanylphenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: methyl 4-(2-iodophenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(2-iodophenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-iodophenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(2-iodophenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester Formula: C18H18INO3 MolecularWeight: 423.24489

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC=CC=C3I

Isomeric SMILES

COC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC=CC=C3I

InChI

InChI=1S/C18H18INO3/c1-10-15(18(22)23-2)16(11-6-3-4-7-12(11)19)17-13(20-10)8-5-9-14(17)21/h3-4,6-7,15-16,20H,1,5,8-9H2,2H3