cyclohexyl 4-(3-iodanylphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl 4-(3-iodanylphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: cyclohexyl 4-(3-iodophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-iodophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-(3-iodophenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-iodophenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C23H26INO3 MolecularWeight: 491.36191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=CC=C3)I)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=CC=C3)I)C(=O)OC4CCCCC4

InChI

InChI=1S/C23H26INO3/c1-14-20(23(27)28-17-9-3-2-4-10-17)21(15-7-5-8-16(24)13-15)22-18(25-14)11-6-12-19(22)26/h5,7-8,11,13,17,21-22,25H,2-4,6,9-10,12H2,1H3