(phenylmethyl) 4-(2-iodanylphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-iodanylphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-iodophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(2-iodophenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C30H26INO3 MolecularWeight: 575.43681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4I)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4I)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H26INO3/c1-19-27(30(34)35-18-20-10-4-2-5-11-20)28(23-14-8-9-15-24(23)31)29-25(32-19)16-22(17-26(29)33)21-12-6-3-7-13-21/h2-15,22,28,32H,16-18H2,1H3