1-[2-(6-iodanyl-4-oxidanylidene-1H-quinolin-2-yl)-3,6-dimethyl-phenyl]ethyl 2-(2,5-dimethylpyrrol-1-yl)-5-iodanyl-benzoate

Systemtic Name: 1-[2-(6-iodanyl-4-oxidanylidene-1H-quinolin-2-yl)-3,6-dimethyl-phenyl]ethyl 2-(2,5-dimethylpyrrol-1-yl)-5-iodanyl-benzoate Openeye Name: 1-[2-(6-iodo-4-oxo-1H-quinolin-2-yl)-3,6-dimethyl-phenyl]ethyl 2-(2,5-dimethylpyrrol-1-yl)-5-iodo-benzoate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-5-iodobenzoic acid 1-[2-(6-iodo-4-oxo-1H-quinolin-2-yl)-3,6-dimethylphenyl]ethyl ester IUPAC Name: 1-[2-(6-iodo-4-oxo-1H-quinolin-2-yl)-3,6-dimethylphenyl]ethyl 2-(2,5-dimethylpyrrol-1-yl)-5-iodobenzoate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-5-iodo-benzoic acid 1-[2-(6-iodo-4-keto-1H-quinolin-2-yl)-3,6-dimethyl-phenyl]ethyl ester Formula: C32H28I2N2O3 MolecularWeight: 742.38526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)C(C)OC(=O)C2=C(C=CC(=C2)I)N3C(=CC=C3C)C)C4=CC(=O)C5=C(N4)C=CC(=C5)I

Isomeric SMILES

CC1=C(C(=C(C=C1)C)C(C)OC(=O)C2=C(C=CC(=C2)I)N3C(=CC=C3C)C)C4=CC(=O)C5=C(N4)C=CC(=C5)I

InChI

InChI=1S/C32H28I2N2O3/c1-17-6-7-18(2)31(27-16-29(37)24-14-22(33)10-12-26(24)35-27)30(17)21(5)39-32(38)25-15-23(34)11-13-28(25)36-19(3)8-9-20(36)4/h6-16,21H,1-5H3,(H,35,37)