methyl (4S)-4-(2-iodanylphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC=CC=C3I)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC)C3=CC=CC=C3I)C(=O)CCC2

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/h3-4,6-7,15-16H,5,8-9H2,1-2H3/t15?,16-/m0/s1