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

Systemtic Name: ethyl (4S,7S)-4-(2-iodanylphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4S,7S)-4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7S)-4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,7S)-4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7S)-4-(2-iodophenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C25H24INO3 MolecularWeight: 513.36743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CC=C3)N=C1C)C4=CC=CC=C4I

Isomeric SMILES

CCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CC=C3)N=C1C)C4=CC=CC=C4I

InChI

InChI=1S/C25H24INO3/c1-3-30-25(29)22-15(2)27-20-13-17(16-9-5-4-6-10-16)14-21(28)24(20)23(22)18-11-7-8-12-19(18)26/h4-12,17,22-23H,3,13-14H2,1-2H3/t17-,22?,23-/m0/s1